1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine

C16H17Cl2N3 — CID 133358248

IUPAC1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
SMILESClc1cccc(CN2CCN(c3ccncc3Cl)CC2)c1
InChIInChI=1S/C16H17Cl2N3/c17-14-3-1-2-13(10-14)12-20-6-8-21(9-7-20)16-4-5-19-11-15(16)18/h1-5,10-11H,6-9,12H2
InChIKeyWYVYUFCRLQRGLW-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.71
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine

1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine (PubChem CID 133358248) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
PubChem CID133358248
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
SMILESClc1cccc(CN2CCN(c3ccncc3Cl)CC2)c1
InChIInChI=1S/C16H17Cl2N3/c17-14-3-1-2-13(10-14)12-20-6-8-21(9-7-20)16-4-5-19-11-15(16)18/h1-5,10-11H,6-9,12H2
InChIKeyWYVYUFCRLQRGLW-UHFFFAOYSA-N
XLogP3.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine 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-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662
1-(5-chloro-2-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine
CID 78845508
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
CID 78805879
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656
1-(2-chlorophenyl)-4-(3-chloro-4-pyridinyl)piperazine
CID 133352048
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
1-benzyl-4-[4-(chloromethyl)-3-pyridinyl]piperazine
CID 105067248
1-(5-chloro-2-methylphenyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130105
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine
CID 72866776
[5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 134501439

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine (CID 133358248) is 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine is Clc1cccc(CN2CCN(c3ccncc3Cl)CC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine?
The InChIKey is WYVYUFCRLQRGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c17-14-3-1-2-13(10-14)12-20-6-8-21(9-7-20)16-4-5-19-11-15(16)18/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine?
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine has a molecular weight of 322.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine is sourced from PubChem (CID 133358248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).