1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine

C16H17Cl2N3 — CID 62047060

IUPAC1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
SMILESClc1cccc(N2CCN(Cc3ccnc(Cl)c3)CC2)c1
InChIInChI=1S/C16H17Cl2N3/c17-14-2-1-3-15(11-14)21-8-6-20(7-9-21)12-13-4-5-19-16(18)10-13/h1-5,10-11H,6-9,12H2
InChIKeySFSBXWWVJGWVGM-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.71
Rot. Bonds3

About 1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine

1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine (PubChem CID 62047060) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
PubChem CID62047060
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
SMILESClc1cccc(N2CCN(Cc3ccnc(Cl)c3)CC2)c1
InChIInChI=1S/C16H17Cl2N3/c17-14-2-1-3-15(11-14)21-8-6-20(7-9-21)12-13-4-5-19-16(18)10-13/h1-5,10-11H,6-9,12H2
InChIKeySFSBXWWVJGWVGM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
1-[4-[(2-chloro-4-pyridinyl)methyl]piperazin-1-yl]-2-hydroxyethanone
CID 58285187
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62299103
2,3-bis[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzo[g]quinoxaline;hydrochloride
CID 70163649
4-[(2-chloro-4-pyridinyl)methyl]-N-methylpiperazine-1-carboxamide
CID 58285194
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839861
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
CID 78805879

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine (CID 62047060) is 1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine is Clc1cccc(N2CCN(Cc3ccnc(Cl)c3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine?
The InChIKey is SFSBXWWVJGWVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c17-14-2-1-3-15(11-14)21-8-6-20(7-9-21)12-13-4-5-19-16(18)10-13/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine?
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]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)-4-[(2-chloro-4-pyridinyl)methyl]piperazine is sourced from PubChem (CID 62047060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).