(2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine

C20H25NO2 — CID 175936689

IUPAC(2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine
SMILESCOc1ccc([C@@]2(c3ccccc3)CCCCN2C)cc1OC
InChIInChI=1S/C20H25NO2/c1-21-14-8-7-13-20(21,16-9-5-4-6-10-16)17-11-12-18(22-2)19(15-17)23-3/h4-6,9-12,15H,7-8,13-14H2,1-3H3/t20-/m0/s1
InChIKeyBTIZEMTZHRQKMS-FQEVSTJZSA-N
MW311.43 g/mol
LogP4.06
Rot. Bonds4

About (2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine

(2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine (PubChem CID 175936689) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine
PubChem CID175936689
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine
SMILESCOc1ccc([C@@]2(c3ccccc3)CCCCN2C)cc1OC
InChIInChI=1S/C20H25NO2/c1-21-14-8-7-13-20(21,16-9-5-4-6-10-16)17-11-12-18(22-2)19(15-17)23-3/h4-6,9-12,15H,7-8,13-14H2,1-3H3/t20-/m0/s1
InChIKeyBTIZEMTZHRQKMS-FQEVSTJZSA-N
XLogP4.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
2-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-2-carbonitrile
CID 12827590
2-(furan-2-yl)-1-methyl-2-phenylpiperidine
CID 57269889
(3aS,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole
CID 101424691
(3aR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole
CID 10989483
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117490723
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117489868
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide
CID 1114580
3a-(3,4-dimethoxyphenyl)-1,1'-dimethylspiro[2,3,4,5,7,7a-hexahydroindole-6,2'-pyrrolidine]
CID 171567378
[(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl] benzoate
CID 171823893
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
(5S)-7-[(3S)-3-(3,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]-2,5-dimethylheptan-3-one
CID 166491672

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine?
The IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine (CID 175936689) is (2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine.
What is the SMILES notation for (2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine?
The canonical SMILES for (2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine is COc1ccc([C@@]2(c3ccccc3)CCCCN2C)cc1OC.
What is the InChIKey of (2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine?
The InChIKey is BTIZEMTZHRQKMS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25NO2/c1-21-14-8-7-13-20(21,16-9-5-4-6-10-16)17-11-12-18(22-2)19(15-17)23-3/h4-6,9-12,15H,7-8,13-14H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine?
(2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine has a molecular weight of 311.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-phenylpiperidine is sourced from PubChem (CID 175936689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).