benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate

C16H25N3O2 — CID 96553890

IUPACbenzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate
SMILESNCCN1CCCC[C@@H]1CNC(=O)OCc1ccccc1
InChIInChI=1S/C16H25N3O2/c17-9-11-19-10-5-4-8-15(19)12-18-16(20)21-13-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,17H2,(H,18,20)/t15-/m1/s1
InChIKeyRBYHRCVNXAGCJY-OAHLLOKOSA-N
MW291.39 g/mol
LogP1.73
Rot. Bonds6

About benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate

benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate (PubChem CID 96553890) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate
PubChem CID96553890
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Namebenzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate
SMILESNCCN1CCCC[C@@H]1CNC(=O)OCc1ccccc1
InChIInChI=1S/C16H25N3O2/c17-9-11-19-10-5-4-8-15(19)12-18-16(20)21-13-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,17H2,(H,18,20)/t15-/m1/s1
InChIKeyRBYHRCVNXAGCJY-OAHLLOKOSA-N
XLogP1.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]acetic acid
CID 96554064
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 130580965
benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate
CID 96553888
benzyl N-[[1-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
CID 71648853
2-[(2R)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]propanedioic acid
CID 68603488
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[[(2S)-1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]carbamate
CID 59362143
diethyl 2-[2-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]propanedioate
CID 72533168
benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552602
benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
CID 171936884
(2S)-1-[4-(phenylmethoxycarbonylamino)butyl]pyrrolidine-2-carboxylic acid
CID 101131452

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate (CID 96553890) is benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate is NCCN1CCCC[C@@H]1CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate?
The InChIKey is RBYHRCVNXAGCJY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-9-11-19-10-5-4-8-15(19)12-18-16(20)21-13-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,17H2,(H,18,20)/t15-/m1/s1.
What are the key properties of benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate?
benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 96553890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).