2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine

C16H27N3 — CID 96554163

IUPAC2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
SMILESCN(Cc1ccccc1)C[C@H]1CCCN(CCN)C1
InChIInChI=1S/C16H27N3/c1-18(12-15-6-3-2-4-7-15)13-16-8-5-10-19(14-16)11-9-17/h2-4,6-7,16H,5,8-14,17H2,1H3/t16-/m1/s1
InChIKeyLUWJHNCGBWFZBX-MRXNPFEDSA-N
MW261.41 g/mol
LogP1.79
Rot. Bonds6

About 2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine

2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine (PubChem CID 96554163) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
PubChem CID96554163
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
SMILESCN(Cc1ccccc1)C[C@H]1CCCN(CCN)C1
InChIInChI=1S/C16H27N3/c1-18(12-15-6-3-2-4-7-15)13-16-8-5-10-19(14-16)11-9-17/h2-4,6-7,16H,5,8-14,17H2,1H3/t16-/m1/s1
InChIKeyLUWJHNCGBWFZBX-MRXNPFEDSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115213242
2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 66567008
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42522169
1-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine
CID 51598828
N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
CID 66567916
(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66567022
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42100663
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554160

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine (CID 96554163) is 2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine is CN(Cc1ccccc1)C[C@H]1CCCN(CCN)C1.
What is the InChIKey of 2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine?
The InChIKey is LUWJHNCGBWFZBX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(12-15-6-3-2-4-7-15)13-16-8-5-10-19(14-16)11-9-17/h2-4,6-7,16H,5,8-14,17H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine?
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 96554163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).