tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate

C17H26N2O2 — CID 20664719

IUPACtert-butyl 4-amino-4-benzylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-11-9-17(18,10-12-19)13-14-7-5-4-6-8-14/h4-8H,9-13,18H2,1-3H3
InChIKeyXVSKTMVTTGWRPE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.96
Rot. Bonds2

About tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate

tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate (PubChem CID 20664719) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-4-benzylpiperidine-1-carboxylate
PubChem CID20664719
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 4-amino-4-benzylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-11-9-17(18,10-12-19)13-14-7-5-4-6-8-14/h4-8H,9-13,18H2,1-3H3
InChIKeyXVSKTMVTTGWRPE-UHFFFAOYSA-N
XLogP2.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-carbamic acid tert-butyl ester
CID 3217175
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
Ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
CID 783518
{2-Oxo-2-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethyl}-carbamic acid tert-butyl ester
CID 10784820
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
Ethyl 4-(2-phenylethyl)-1-piperazinecarboxylate
CID 783195
Carbamic acid, ((4-phenyl-4-piperidinyl)methyl)-, ethyl ester
CID 55146
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
tert-butyl N-(2-phenylethyl)carbamate
CID 3541750
Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811
{3-Oxo-3-[4-(3-phenyl-propyl)-piperazin-1-yl]-propyl}-carbamic acid tert-butyl ester
CID 10571528

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate (CID 20664719) is tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)(Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate?
The InChIKey is XVSKTMVTTGWRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-11-9-17(18,10-12-19)13-14-7-5-4-6-8-14/h4-8H,9-13,18H2,1-3H3.
What are the key properties of tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate?
tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-4-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 20664719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).