(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine

C15H24N2 — CID 92753834

IUPAC(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
SMILESC[C@@H](CNCc1ccccc1)N1CCCCC1
InChIInChI=1S/C15H24N2/c1-14(17-10-6-3-7-11-17)12-16-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-/m0/s1
InChIKeyOMRDQGFKLZHQKN-AWEZNQCLSA-N
MW232.37 g/mol
LogP2.65
Rot. Bonds5

About (2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine

(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 92753834) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
PubChem CID92753834
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
SMILESC[C@@H](CNCc1ccccc1)N1CCCCC1
InChIInChI=1S/C15H24N2/c1-14(17-10-6-3-7-11-17)12-16-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-/m0/s1
InChIKeyOMRDQGFKLZHQKN-AWEZNQCLSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-N-benzylbutan-1-amine
CID 91402380
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine
CID 18804080
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 79033050
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine
CID 113222784
2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 63051224
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113222770

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of (2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine (CID 92753834) is (2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for (2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for (2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine is C[C@@H](CNCc1ccccc1)N1CCCCC1.
What is the InChIKey of (2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is OMRDQGFKLZHQKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(17-10-6-3-7-11-17)12-16-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine?
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 92753834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).