2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine

C15H17ClN4 — CID 171909306

IUPAC2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
SMILESClc1cccc(N2CCN(Cc3ncccn3)CC2)c1
InChIInChI=1S/C15H17ClN4/c16-13-3-1-4-14(11-13)20-9-7-19(8-10-20)12-15-17-5-2-6-18-15/h1-6,11H,7-10,12H2
InChIKeyYCEFKXCGFXKWRC-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.45
Rot. Bonds3

About 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine

2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine (PubChem CID 171909306) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
PubChem CID171909306
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
SMILESClc1cccc(N2CCN(Cc3ncccn3)CC2)c1
InChIInChI=1S/C15H17ClN4/c16-13-3-1-4-14(11-13)20-9-7-19(8-10-20)12-15-17-5-2-6-18-15/h1-6,11H,7-10,12H2
InChIKeyYCEFKXCGFXKWRC-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine 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

1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
2,3-bis[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzo[g]quinoxaline;hydrochloride
CID 70163649
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
CID 72720536
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839861
5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 3287143
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
CID 62424244
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
CID 5209936
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine
CID 51326192

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine (CID 171909306) is 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine is Clc1cccc(N2CCN(Cc3ncccn3)CC2)c1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine?
The InChIKey is YCEFKXCGFXKWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-13-3-1-4-14(11-13)20-9-7-19(8-10-20)12-15-17-5-2-6-18-15/h1-6,11H,7-10,12H2.
What are the key properties of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine?
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine has a molecular weight of 288.78 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 171909306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).