1-benzyl-4-methylpiperidine

C13H19N — CID 3966943

IUPAC1-benzyl-4-methylpiperidine
SMILESCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H19N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyPWZKIZAHIAGUMK-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.92
Rot. Bonds2

About 1-benzyl-4-methylpiperidine

1-benzyl-4-methylpiperidine (PubChem CID 3966943) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperidine.

Molecular Properties

Compound Name1-benzyl-4-methylpiperidine
PubChem CID3966943
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-benzyl-4-methylpiperidine
SMILESCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H19N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyPWZKIZAHIAGUMK-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperidine?
The IUPAC name of 1-benzyl-4-methylpiperidine (CID 3966943) is 1-benzyl-4-methylpiperidine.
What is the SMILES notation for 1-benzyl-4-methylpiperidine?
The canonical SMILES for 1-benzyl-4-methylpiperidine is CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methylpiperidine?
The InChIKey is PWZKIZAHIAGUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 1-benzyl-4-methylpiperidine?
1-benzyl-4-methylpiperidine has a molecular weight of 189.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperidine is sourced from PubChem (CID 3966943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).