4-[(4-methylphenyl)methyl]piperidine

C13H19N — CID 3375603

IUPAC4-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C13H19N/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2-5,13-14H,6-10H2,1H3
InChIKeyWOOPTEWYQWYUGW-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.54
Rot. Bonds2

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

4-[(4-methylphenyl)methyl]piperidine (PubChem CID 3375603) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]piperidine
PubChem CID3375603
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C13H19N/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2-5,13-14H,6-10H2,1H3
InChIKeyWOOPTEWYQWYUGW-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(4-methylphenyl)methyl]piperidine (CID 3375603) is 4-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-methylphenyl)methyl]piperidine is Cc1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]piperidine?
The InChIKey is WOOPTEWYQWYUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2-5,13-14H,6-10H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methyl]piperidine?
4-[(4-methylphenyl)methyl]piperidine has a molecular weight of 189.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 3375603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).