4-methyl-4-(2-methylpropyl)-3-phenylpiperidine

C16H25N — CID 79311894

IUPAC4-methyl-4-(2-methylpropyl)-3-phenylpiperidine
SMILESCC(C)CC1(C)CCNCC1c1ccccc1
InChIInChI=1S/C16H25N/c1-13(2)11-16(3)9-10-17-12-15(16)14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3
InChIKeyAWMYMDJROODKBO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.82
Rot. Bonds3

About 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine

4-methyl-4-(2-methylpropyl)-3-phenylpiperidine (PubChem CID 79311894) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine.

Molecular Properties

Compound Name4-methyl-4-(2-methylpropyl)-3-phenylpiperidine
PubChem CID79311894
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-methyl-4-(2-methylpropyl)-3-phenylpiperidine
SMILESCC(C)CC1(C)CCNCC1c1ccccc1
InChIInChI=1S/C16H25N/c1-13(2)11-16(3)9-10-17-12-15(16)14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3
InChIKeyAWMYMDJROODKBO-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine?
The IUPAC name of 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine (CID 79311894) is 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine.
What is the SMILES notation for 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine?
The canonical SMILES for 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine is CC(C)CC1(C)CCNCC1c1ccccc1.
What is the InChIKey of 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine?
The InChIKey is AWMYMDJROODKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)11-16(3)9-10-17-12-15(16)14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3.
What are the key properties of 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine?
4-methyl-4-(2-methylpropyl)-3-phenylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylpropyl)-3-phenylpiperidine is sourced from PubChem (CID 79311894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).