(2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine

C20H26N2S — CID 54262826

IUPAC(2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine
SMILESCCSc1ccccc1N(C)[C@@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C20H26N2S/c1-3-23-19-14-8-7-12-17(19)22(2)18-13-9-15-21-20(18)16-10-5-4-6-11-16/h4-8,10-12,14,18,20-21H,3,9,13,15H2,1-2H3/t18-,20-/m1/s1
InChIKeyRERXMNZAIXASHU-UYAOXDASSA-N
MW326.51 g/mol
LogP4.73
Rot. Bonds5

About (2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine

(2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine (PubChem CID 54262826) has the molecular formula C20H26N2S and a molecular weight of 326.51 g/mol. Its IUPAC name is (2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine
PubChem CID54262826
Molecular FormulaC20H26N2S
Molecular Weight326.51 g/mol
Exact Mass326.18
IUPAC Name(2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine
SMILESCCSc1ccccc1N(C)[C@@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C20H26N2S/c1-3-23-19-14-8-7-12-17(19)22(2)18-13-9-15-21-20(18)16-10-5-4-6-11-16/h4-8,10-12,14,18,20-21H,3,9,13,15H2,1-2H3/t18-,20-/m1/s1
InChIKeyRERXMNZAIXASHU-UYAOXDASSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine
CID 67725635
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
2-phenylpiperidin-3-ol
CID 18782643
(2S,3S)-N-[(2-ethoxy-4-methoxy-6-propan-2-yloxypyrimidin-5-yl)methyl]-N-methyl-2-phenylpiperidin-3-amine;dihydrochloride
CID 159438727
N-[(1S)-6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromen-7-yl]-N-methyl-2-phenylpiperidin-3-amine
CID 70278980
[(2R,3R)-2-phenylpiperidin-3-yl]azanium
CID 59904937
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355
(2S,3S)-3-fluoro-2-phenylpiperidine
CID 167716919
(2S,3S)-3-fluoro-2-phenylpiperidine;hydrochloride
CID 167716918
N-methyl-1,1-diphenyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106602654
(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
CID 95374690
N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine
CID 79731060

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine?
The IUPAC name of (2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine (CID 54262826) is (2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine?
The canonical SMILES for (2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine is CCSc1ccccc1N(C)[C@@H]1CCCN[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine?
The InChIKey is RERXMNZAIXASHU-UYAOXDASSA-N. The full InChI is InChI=1S/C20H26N2S/c1-3-23-19-14-8-7-12-17(19)22(2)18-13-9-15-21-20(18)16-10-5-4-6-11-16/h4-8,10-12,14,18,20-21H,3,9,13,15H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of (2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine?
(2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine has a molecular weight of 326.51 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine is sourced from PubChem (CID 54262826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).