1-Boc-3-hydroxypiperidine

C10H19NO3CAS 85275-45-2201.27 g/mol

Open in Covalent MOL file
OONOH
AlcoholCarbamate

Properties

Molecular formula
C10H19NO3
Molar mass
201.27 g/mol
Exact mass
201.1365 Da
logP
1.38Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
85275-45-2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)O
InChIKey
UIJXHKXIOCDSEB-UHFFFAOYSA-N
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Boc-3-hydroxypiperidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-1-Boc-3-hydroxypiperidine143900-44-1Defined stereoisomer (R)-1-Boc-3-hydroxypiperidine143900-43-0Defined stereoisomer

Similar compounds

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-583 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-983 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-083 % similar tert-Butyl 4-hydroxyazepane-1-carboxylate478832-21-278 % similar 1-N-Boc-3-hydroxyazetidine141699-55-071 % similar N-Boc-piperidine-3-methanol116574-71-166 % similar tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-766 % similar tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-866 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-2 tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-6 (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-1 tert-Butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate138108-72-2 Capryloylglycine14246-53-8 tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-0

Elsewhere

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