4-methyl-4-phenylpiperidine

C12H17N — CID 3019511

IUPAC4-methyl-4-phenylpiperidine
SMILESCC1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H17N/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKeyWMZXPOYYJULZMD-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.33
Rot. Bonds1

About 4-methyl-4-phenylpiperidine

4-methyl-4-phenylpiperidine (PubChem CID 3019511) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 4-methyl-4-phenylpiperidine.

Molecular Properties

Compound Name4-methyl-4-phenylpiperidine
PubChem CID3019511
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name4-methyl-4-phenylpiperidine
SMILESCC1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H17N/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKeyWMZXPOYYJULZMD-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenylpiperidine?
The IUPAC name of 4-methyl-4-phenylpiperidine (CID 3019511) is 4-methyl-4-phenylpiperidine.
What is the SMILES notation for 4-methyl-4-phenylpiperidine?
The canonical SMILES for 4-methyl-4-phenylpiperidine is CC1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-methyl-4-phenylpiperidine?
The InChIKey is WMZXPOYYJULZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3.
What are the key properties of 4-methyl-4-phenylpiperidine?
4-methyl-4-phenylpiperidine has a molecular weight of 175.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenylpiperidine is sourced from PubChem (CID 3019511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).