tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate

C₁₃H₂₅NO₃CAS 156185-63-6243.35 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₃H₂₅NO₃
Molar mass: 243.35 g/mol
Exact mass: 243.1834 Da
logP: 2.41Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

156185-63-6

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCO

InChIKey

OXPWHPCCUXESFQ-UHFFFAOYSA-N

InChI

InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15/h11,15H,4-10H2,1-3H3

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Work with tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate

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

Similar compounds

1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine89151-44-086 % similar N-Boc-4-piperidinemethanol123855-51-671 % similar tert-Butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate146667-84-768 % similar N-Boc-diethanolamine103898-11-967 % similar 4-(2-Aminoethyl)-1-boc-piperidine146093-46-165 % similar 3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic acid154775-43-664 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-663 % similar tert-Butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate138108-72-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-L-cyclohexylglycinol107202-39-1 N-Boc-D-cyclohexylglycinol188348-00-7 1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate917342-29-1

Elsewhere

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