1-benzyl-3,5-dimethyl-4-phenylpiperidine

C20H25N — CID 141122584

IUPAC1-benzyl-3,5-dimethyl-4-phenylpiperidine
SMILESCC1CN(Cc2ccccc2)CC(C)C1c1ccccc1
InChIInChI=1S/C20H25N/c1-16-13-21(15-18-9-5-3-6-10-18)14-17(2)20(16)19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3
InChIKeyRLMZWYJZHYNZHS-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.56
Rot. Bonds3

About 1-benzyl-3,5-dimethyl-4-phenylpiperidine

1-benzyl-3,5-dimethyl-4-phenylpiperidine (PubChem CID 141122584) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-4-phenylpiperidine.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-4-phenylpiperidine
PubChem CID141122584
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-benzyl-3,5-dimethyl-4-phenylpiperidine
SMILESCC1CN(Cc2ccccc2)CC(C)C1c1ccccc1
InChIInChI=1S/C20H25N/c1-16-13-21(15-18-9-5-3-6-10-18)14-17(2)20(16)19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3
InChIKeyRLMZWYJZHYNZHS-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964
(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
CID 59840122

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-4-phenylpiperidine?
The IUPAC name of 1-benzyl-3,5-dimethyl-4-phenylpiperidine (CID 141122584) is 1-benzyl-3,5-dimethyl-4-phenylpiperidine.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-4-phenylpiperidine?
The canonical SMILES for 1-benzyl-3,5-dimethyl-4-phenylpiperidine is CC1CN(Cc2ccccc2)CC(C)C1c1ccccc1.
What is the InChIKey of 1-benzyl-3,5-dimethyl-4-phenylpiperidine?
The InChIKey is RLMZWYJZHYNZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-16-13-21(15-18-9-5-3-6-10-18)14-17(2)20(16)19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3.
What are the key properties of 1-benzyl-3,5-dimethyl-4-phenylpiperidine?
1-benzyl-3,5-dimethyl-4-phenylpiperidine has a molecular weight of 279.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-4-phenylpiperidine is sourced from PubChem (CID 141122584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).