(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine

C23H26N2OS — CID 10714695

IUPAC(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2ccsc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C23H26N2OS/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1
InChIKeyWCIIIOXFGGLKMU-GMAHTHKFSA-N
MW378.54 g/mol
LogP5.01
Rot. Bonds6

About (2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine

(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 10714695) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is (2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID10714695
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2ccsc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C23H26N2OS/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1
InChIKeyWCIIIOXFGGLKMU-GMAHTHKFSA-N
XLogP5.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10641076
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CID 24965590
[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
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((2-Methoxyphenyl)methyl)((thiophen-2-yl)methyl)amine
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1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
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[2-(4-Methoxy-phenyl)-ethyl]-(3-methyl-thiophen-2-ylmethyl)-amine
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CID 16192282
1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 134800780
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CID 155534723

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine (CID 10714695) is (2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine is COc1ccc(-c2ccsc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is WCIIIOXFGGLKMU-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1.
What are the key properties of (2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 378.54 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 10714695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).