benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate

C16H25N3O2 — CID 96553888

IUPACbenzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate
SMILESNCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H25N3O2/c17-8-10-19-9-4-7-15(12-19)11-18-16(20)21-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,17H2,(H,18,20)/t15-/m1/s1
InChIKeyYZUJNHJWSMQTKT-OAHLLOKOSA-N
MW291.39 g/mol
LogP1.58
Rot. Bonds6

About benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate

benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate (PubChem CID 96553888) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate
PubChem CID96553888
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Namebenzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate
SMILESNCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H25N3O2/c17-8-10-19-9-4-7-15(12-19)11-18-16(20)21-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,17H2,(H,18,20)/t15-/m1/s1
InChIKeyYZUJNHJWSMQTKT-OAHLLOKOSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247
2-[3-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]acetic acid
CID 66566865
2-[(3S)-3-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]acetic acid
CID 96554065
benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate
CID 96553890
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(1-prop-2-enoylpiperidin-3-yl)methyl]carbamate
CID 166410489
benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate
CID 66566535
propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
CID 143244812
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
CID 66566800
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate (CID 96553888) is benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate is NCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate?
The InChIKey is YZUJNHJWSMQTKT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-8-10-19-9-4-7-15(12-19)11-18-16(20)21-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,17H2,(H,18,20)/t15-/m1/s1.
What are the key properties of benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate?
benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 96553888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).