2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine

C16H27N3 — CID 96554160

IUPAC2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
SMILESCN(Cc1ccccc1)C[C@@H]1CCCCN1CCN
InChIInChI=1S/C16H27N3/c1-18(13-15-7-3-2-4-8-15)14-16-9-5-6-11-19(16)12-10-17/h2-4,7-8,16H,5-6,9-14,17H2,1H3/t16-/m0/s1
InChIKeyFXFUTWYIESLTGP-INIZCTEOSA-N
MW261.41 g/mol
LogP1.93
Rot. Bonds6

About 2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine

2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine (PubChem CID 96554160) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
PubChem CID96554160
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
SMILESCN(Cc1ccccc1)C[C@@H]1CCCCN1CCN
InChIInChI=1S/C16H27N3/c1-18(13-15-7-3-2-4-8-15)14-16-9-5-6-11-19(16)12-10-17/h2-4,7-8,16H,5-6,9-14,17H2,1H3/t16-/m0/s1
InChIKeyFXFUTWYIESLTGP-INIZCTEOSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
CID 96554125
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine
CID 96554182
2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554121
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 67649850
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
CID 96552846
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine
CID 96552855

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine (CID 96554160) is 2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine is CN(Cc1ccccc1)C[C@@H]1CCCCN1CCN.
What is the InChIKey of 2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine?
The InChIKey is FXFUTWYIESLTGP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(13-15-7-3-2-4-8-15)14-16-9-5-6-11-19(16)12-10-17/h2-4,7-8,16H,5-6,9-14,17H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine?
2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 96554160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).