1-benzyl-4-(2,5-dimethylphenyl)piperidine

C20H25N — CID 130137270

IUPAC1-benzyl-4-(2,5-dimethylphenyl)piperidine
SMILESCc1ccc(C)c(C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N/c1-16-8-9-17(2)20(14-16)19-10-12-21(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyHMKABBRLGBJPQO-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.68
Rot. Bonds3

About 1-benzyl-4-(2,5-dimethylphenyl)piperidine

1-benzyl-4-(2,5-dimethylphenyl)piperidine (PubChem CID 130137270) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-benzyl-4-(2,5-dimethylphenyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(2,5-dimethylphenyl)piperidine
PubChem CID130137270
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-benzyl-4-(2,5-dimethylphenyl)piperidine
SMILESCc1ccc(C)c(C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N/c1-16-8-9-17(2)20(14-16)19-10-12-21(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyHMKABBRLGBJPQO-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 122176958
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
1-benzyl-4-(2-propylphenyl)piperidine
CID 143140323
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
methyl N-benzyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylphenyl]methyl]carbamate
CID 69494799
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
2-(4-benzylpiperazin-1-yl)-1-[3-(2,5-dimethylphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 42845060

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,5-dimethylphenyl)piperidine?
The IUPAC name of 1-benzyl-4-(2,5-dimethylphenyl)piperidine (CID 130137270) is 1-benzyl-4-(2,5-dimethylphenyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(2,5-dimethylphenyl)piperidine?
The canonical SMILES for 1-benzyl-4-(2,5-dimethylphenyl)piperidine is Cc1ccc(C)c(C2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-(2,5-dimethylphenyl)piperidine?
The InChIKey is HMKABBRLGBJPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-16-8-9-17(2)20(14-16)19-10-12-21(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3.
What are the key properties of 1-benzyl-4-(2,5-dimethylphenyl)piperidine?
1-benzyl-4-(2,5-dimethylphenyl)piperidine has a molecular weight of 279.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,5-dimethylphenyl)piperidine is sourced from PubChem (CID 130137270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).