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

C18H27N — CID 79978067

IUPAC4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CNCCC1c1cccc(C2CC2)c1
InChIInChI=1S/C18H27N/c1-13(2)10-17-12-19-9-8-18(17)16-5-3-4-15(11-16)14-6-7-14/h3-5,11,13-14,17-19H,6-10,12H2,1-2H3
InChIKeyAEQWZIQISDMVDB-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.30
Rot. Bonds4

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

4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine (PubChem CID 79978067) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine
PubChem CID79978067
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CNCCC1c1cccc(C2CC2)c1
InChIInChI=1S/C18H27N/c1-13(2)10-17-12-19-9-8-18(17)16-5-3-4-15(11-16)14-6-7-14/h3-5,11,13-14,17-19H,6-10,12H2,1-2H3
InChIKeyAEQWZIQISDMVDB-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
CID 79320999
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
4-(3-bromophenyl)-3-(2-methylpropyl)piperidine
CID 79321198
4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
CID 79320311
4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine
CID 114055081
4-(3-chlorophenyl)-3-propylpiperidine
CID 79321401
4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine
CID 79321477
3-ethyl-4-phenylpiperidine
CID 56828112
4-(4-cyclopropylphenyl)-3-propylpiperidine
CID 79978393
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline
CID 138572820
4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine
CID 79321574

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine?
The IUPAC name of 4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine (CID 79978067) is 4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine is CC(C)CC1CNCCC1c1cccc(C2CC2)c1.
What is the InChIKey of 4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine?
The InChIKey is AEQWZIQISDMVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-13(2)10-17-12-19-9-8-18(17)16-5-3-4-15(11-16)14-6-7-14/h3-5,11,13-14,17-19H,6-10,12H2,1-2H3.
What are the key properties of 4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine?
4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine has a molecular weight of 257.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 79978067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).