2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine

C21H29N3 — CID 146383183

IUPAC2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine
SMILESCC1CCCN(CCc2nccc(CCCc3ccccc3)n2)C1
InChIInChI=1S/C21H29N3/c1-18-7-6-15-24(17-18)16-13-21-22-14-12-20(23-21)11-5-10-19-8-3-2-4-9-19/h2-4,8-9,12,14,18H,5-7,10-11,13,15-17H2,1H3
InChIKeyWCMKEZVHYOISFN-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.93
Rot. Bonds7

About 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine

2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine (PubChem CID 146383183) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine.

Molecular Properties

Compound Name2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine
PubChem CID146383183
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine
SMILESCC1CCCN(CCc2nccc(CCCc3ccccc3)n2)C1
InChIInChI=1S/C21H29N3/c1-18-7-6-15-24(17-18)16-13-21-22-14-12-20(23-21)11-5-10-19-8-3-2-4-9-19/h2-4,8-9,12,14,18H,5-7,10-11,13,15-17H2,1H3
InChIKeyWCMKEZVHYOISFN-UHFFFAOYSA-N
XLogP3.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine 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 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine?
The IUPAC name of 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine (CID 146383183) is 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine.
What is the SMILES notation for 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine?
The canonical SMILES for 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine is CC1CCCN(CCc2nccc(CCCc3ccccc3)n2)C1.
What is the InChIKey of 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine?
The InChIKey is WCMKEZVHYOISFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-18-7-6-15-24(17-18)16-13-21-22-14-12-20(23-21)11-5-10-19-8-3-2-4-9-19/h2-4,8-9,12,14,18H,5-7,10-11,13,15-17H2,1H3.
What are the key properties of 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine?
2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine has a molecular weight of 323.48 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine is sourced from PubChem (CID 146383183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).