4-benzyl-1-[(4-methylphenyl)methyl]piperidine

C20H25N — CID 3498504

IUPAC4-benzyl-1-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N/c1-17-7-9-20(10-8-17)16-21-13-11-19(12-14-21)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
InChIKeyLOGLIIGJDWWILC-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.45
Rot. Bonds4

About 4-benzyl-1-[(4-methylphenyl)methyl]piperidine

4-benzyl-1-[(4-methylphenyl)methyl]piperidine (PubChem CID 3498504) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-benzyl-1-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(4-methylphenyl)methyl]piperidine
PubChem CID3498504
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name4-benzyl-1-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N/c1-17-7-9-20(10-8-17)16-21-13-11-19(12-14-21)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
InChIKeyLOGLIIGJDWWILC-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
4-[(1-benzylpiperidin-4-yl)methyl]-N,N-dimethylaniline;(E)-but-2-enedioic acid
CID 19390935
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide
CID 99132118
4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 53286053

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(4-methylphenyl)methyl]piperidine (CID 3498504) is 4-benzyl-1-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(4-methylphenyl)methyl]piperidine is Cc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[(4-methylphenyl)methyl]piperidine?
The InChIKey is LOGLIIGJDWWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-17-7-9-20(10-8-17)16-21-13-11-19(12-14-21)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3.
What are the key properties of 4-benzyl-1-[(4-methylphenyl)methyl]piperidine?
4-benzyl-1-[(4-methylphenyl)methyl]piperidine has a molecular weight of 279.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 3498504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).