2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine

C15H23N — CID 81318671

IUPAC2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine
SMILESCc1ccc(CC2CCC(C)CN2)c(C)c1
InChIInChI=1S/C15H23N/c1-11-4-6-14(13(3)8-11)9-15-7-5-12(2)10-16-15/h4,6,8,12,15-16H,5,7,9-10H2,1-3H3
InChIKeyZKAYSNBPPDSPNO-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.23
Rot. Bonds2

About 2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine

2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine (PubChem CID 81318671) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine
PubChem CID81318671
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine
SMILESCc1ccc(CC2CCC(C)CN2)c(C)c1
InChIInChI=1S/C15H23N/c1-11-4-6-14(13(3)8-11)9-15-7-5-12(2)10-16-15/h4,6,8,12,15-16H,5,7,9-10H2,1-3H3
InChIKeyZKAYSNBPPDSPNO-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine?
The IUPAC name of 2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine (CID 81318671) is 2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine is Cc1ccc(CC2CCC(C)CN2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine?
The InChIKey is ZKAYSNBPPDSPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-4-6-14(13(3)8-11)9-15-7-5-12(2)10-16-15/h4,6,8,12,15-16H,5,7,9-10H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine?
2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine is sourced from PubChem (CID 81318671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).