(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine

C20H26N2 — CID 11254892

IUPAC(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
SMILESc1ccc(CN[C@H](CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H26N2/c1-4-10-18(11-5-1)16-21-20(19-12-6-2-7-13-19)17-22-14-8-3-9-15-22/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2/t20-/m1/s1
InChIKeyXWJKVBWFCZPRJJ-HXUWFJFHSA-N
MW294.44 g/mol
LogP4.00
Rot. Bonds6

About (1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine

(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine (PubChem CID 11254892) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
PubChem CID11254892
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
SMILESc1ccc(CN[C@H](CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H26N2/c1-4-10-18(11-5-1)16-21-20(19-12-6-2-7-13-19)17-22-14-8-3-9-15-22/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2/t20-/m1/s1
InChIKeyXWJKVBWFCZPRJJ-HXUWFJFHSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849601
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849604
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 89003231
(2S,3R)-3-(benzylamino)-4,4,4-trifluoro-1-piperidin-1-ylbutan-2-ol
CID 44541164
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
N-(2-methoxyethyl)-N-methyl-5-[[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]methyl]pyridin-2-amine
CID 124726400
N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
(1S)-N-[(3,4-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265451
N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 115526298

Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine?
The IUPAC name of (1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine (CID 11254892) is (1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine.
What is the SMILES notation for (1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine?
The canonical SMILES for (1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine is c1ccc(CN[C@H](CN2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of (1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine?
The InChIKey is XWJKVBWFCZPRJJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2/c1-4-10-18(11-5-1)16-21-20(19-12-6-2-7-13-19)17-22-14-8-3-9-15-22/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2/t20-/m1/s1.
What are the key properties of (1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine?
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine has a molecular weight of 294.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine is sourced from PubChem (CID 11254892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).