4-(3-methylphenyl)-3-(2-methylpropyl)piperidine

C16H25N — CID 79320999

IUPAC4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
SMILESCc1cccc(C2CCNCC2CC(C)C)c1
InChIInChI=1S/C16H25N/c1-12(2)9-15-11-17-8-7-16(15)14-6-4-5-13(3)10-14/h4-6,10,12,15-17H,7-9,11H2,1-3H3
InChIKeyGGJJTBHZVDEJTJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.73
Rot. Bonds3

About 4-(3-methylphenyl)-3-(2-methylpropyl)piperidine

4-(3-methylphenyl)-3-(2-methylpropyl)piperidine (PubChem CID 79320999) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-(3-methylphenyl)-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
PubChem CID79320999
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
SMILESCc1cccc(C2CCNCC2CC(C)C)c1
InChIInChI=1S/C16H25N/c1-12(2)9-15-11-17-8-7-16(15)14-6-4-5-13(3)10-14/h4-6,10,12,15-17H,7-9,11H2,1-3H3
InChIKeyGGJJTBHZVDEJTJ-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine
CID 79978067
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
4-(3-bromophenyl)-3-(2-methylpropyl)piperidine
CID 79321198
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119
4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine
CID 114055081
4-butan-2-yl-3-(3-methylphenyl)piperidine
CID 79441756
4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
CID 79441754
4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
CID 79320311
(3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride
CID 21309134
4-(3-methylphenyl)-3-phenylmethoxypiperidine
CID 21193252
4-(2-methylphenyl)-3-(3-methylphenyl)piperidine
CID 79441677
3-(3-methylphenyl)-4-(1-phenylethyl)piperidine
CID 79432324

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-3-(2-methylpropyl)piperidine?
The IUPAC name of 4-(3-methylphenyl)-3-(2-methylpropyl)piperidine (CID 79320999) is 4-(3-methylphenyl)-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(3-methylphenyl)-3-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(3-methylphenyl)-3-(2-methylpropyl)piperidine is Cc1cccc(C2CCNCC2CC(C)C)c1.
What is the InChIKey of 4-(3-methylphenyl)-3-(2-methylpropyl)piperidine?
The InChIKey is GGJJTBHZVDEJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)9-15-11-17-8-7-16(15)14-6-4-5-13(3)10-14/h4-6,10,12,15-17H,7-9,11H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)-3-(2-methylpropyl)piperidine?
4-(3-methylphenyl)-3-(2-methylpropyl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 79320999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).