(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine

C18H22N2 — CID 67754429

IUPAC(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
SMILESc1ccc(CN[C@H]2CCCN[C@H]2c2ccccc2)cc1
InChIInChI=1S/C18H22N2/c1-3-8-15(9-4-1)14-20-17-12-7-13-19-18(17)16-10-5-2-6-11-16/h1-6,8-11,17-20H,7,12-14H2/t17-,18-/m0/s1
InChIKeyGTEURKRBYDHVCE-ROUUACIJSA-N
MW266.39 g/mol
LogP3.27
Rot. Bonds4

About (2S,3S)-N-benzyl-2-phenylpiperidin-3-amine

(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine (PubChem CID 67754429) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (2S,3S)-N-benzyl-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
PubChem CID67754429
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
SMILESc1ccc(CN[C@H]2CCCN[C@H]2c2ccccc2)cc1
InChIInChI=1S/C18H22N2/c1-3-8-15(9-4-1)14-20-17-12-7-13-19-18(17)16-10-5-2-6-11-16/h1-6,8-11,17-20H,7,12-14H2/t17-,18-/m0/s1
InChIKeyGTEURKRBYDHVCE-ROUUACIJSA-N
XLogP3.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
CID 11499795
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 19012951
(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 67819925
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
N-benzyl-2-methylpiperidin-3-amine
CID 131060344
(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine
CID 57162412
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 22918527
N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 70202619
(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 57158531
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol
CID 11695097

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-benzyl-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-benzyl-2-phenylpiperidin-3-amine (CID 67754429) is (2S,3S)-N-benzyl-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-benzyl-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-benzyl-2-phenylpiperidin-3-amine is c1ccc(CN[C@H]2CCCN[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3S)-N-benzyl-2-phenylpiperidin-3-amine?
The InChIKey is GTEURKRBYDHVCE-ROUUACIJSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-8-15(9-4-1)14-20-17-12-7-13-19-18(17)16-10-5-2-6-11-16/h1-6,8-11,17-20H,7,12-14H2/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-N-benzyl-2-phenylpiperidin-3-amine?
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-benzyl-2-phenylpiperidin-3-amine is sourced from PubChem (CID 67754429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).