1-(2-N-Boc-aminoethyl)piperazine

C11H23N3O2CAS 140447-78-5229.32 g/mol

Open in Covalent MOL file
OOHNNNH
CarbamateSecondary amineTertiary amine

Properties

Molecular formula
C11H23N3O2
Molar mass
229.32 g/mol
Exact mass
229.1790 Da
logP
0.42Crippen estimate
Polar surface area
53.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
140447-78-5
SMILES
CC(C)(C)OC(=O)NCCN1CCNCC1
InChIKey
VPOIPCJBJNWHSJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)13-6-9-14-7-4-12-5-8-14/h12H,4-9H2,1-3H3,(H,13,15)

Weigh it out

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

Work with 1-(2-N-Boc-aminoethyl)piperazine

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

1,7-Bis-boc-1,4,7-triazaheptane117499-16-871 % similar (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-463 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-157 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-257 % similar tert-Butyl N-(2-bromoethyl)carbamate39684-80-557 % similar N-(tert-Butoxycarbonyl)-2-aminoethanethiol67385-09-557 % similar 4-(Boc-aminomethyl)piperidine135632-53-057 % similar 3-(Boc-amino)-1-propanol58885-58-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2-Amino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester192130-34-0

Elsewhere

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