(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine

C20H25N — CID 10039279

IUPAC(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
SMILESC[C@H]1CC(c2ccccc2)C[C@H](C)N1Cc1ccccc1
InChIInChI=1S/C20H25N/c1-16-13-20(19-11-7-4-8-12-19)14-17(2)21(16)15-18-9-5-3-6-10-18/h3-12,16-17,20H,13-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyFWFLFOPLSFGUFJ-IRXDYDNUSA-N
MW279.43 g/mol
LogP4.84
Rot. Bonds3

About (2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine

(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine (PubChem CID 10039279) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine.

Molecular Properties

Compound Name(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
PubChem CID10039279
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
SMILESC[C@H]1CC(c2ccccc2)C[C@H](C)N1Cc1ccccc1
InChIInChI=1S/C20H25N/c1-16-13-20(19-11-7-4-8-12-19)14-17(2)21(16)15-18-9-5-3-6-10-18/h3-12,16-17,20H,13-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyFWFLFOPLSFGUFJ-IRXDYDNUSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
1-benzyl-4-methylazetidine-2-carbaldehyde
CID 59908727
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
2-[(2R,4S,6R)-2-methyl-4,6-diphenylpiperidin-1-yl]ethanol
CID 11392285
3-[(2R,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]propanenitrile
CID 83913156
(2S,3S,4S,6R)-1-benzyl-2,3,6-trimethylpiperidin-4-amine
CID 95242050
(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine
CID 124710393
(1R,2R,4R,6S)-3-benzyl-2,4-dimethyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 124747563
(2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine
CID 166434334
1-benzylsulfonyl-2-methyl-4-phenylpyrrolidine
CID 110868673
1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol
CID 130863871
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine?
The IUPAC name of (2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine (CID 10039279) is (2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine.
What is the SMILES notation for (2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine?
The canonical SMILES for (2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine is C[C@H]1CC(c2ccccc2)C[C@H](C)N1Cc1ccccc1.
What is the InChIKey of (2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine?
The InChIKey is FWFLFOPLSFGUFJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H25N/c1-16-13-20(19-11-7-4-8-12-19)14-17(2)21(16)15-18-9-5-3-6-10-18/h3-12,16-17,20H,13-15H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine?
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine has a molecular weight of 279.43 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine is sourced from PubChem (CID 10039279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).