1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine

C16H17Cl2N3 — CID 120754425

IUPAC1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESClc1ccc(Cl)c(CN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C16H17Cl2N3/c17-14-3-4-15(18)13(8-14)11-21-7-6-20-10-16(21)12-2-1-5-19-9-12/h1-5,8-9,16,20H,6-7,10-11H2
InChIKeyUGQMEDXMCVYQPF-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.53
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine

1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120754425) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120754425
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESClc1ccc(Cl)c(CN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C16H17Cl2N3/c17-14-3-4-15(18)13(8-14)11-21-7-6-20-10-16(21)12-2-1-5-19-9-12/h1-5,8-9,16,20H,6-7,10-11H2
InChIKeyUGQMEDXMCVYQPF-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754497
1-[(5-chloro-2-nitrophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754286
1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120756020
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride
CID 120768325
1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120846434
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine (CID 120754425) is 1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine is Clc1ccc(Cl)c(CN2CCNCC2c2cccnc2)c1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is UGQMEDXMCVYQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c17-14-3-4-15(18)13(8-14)11-21-7-6-20-10-16(21)12-2-1-5-19-9-12/h1-5,8-9,16,20H,6-7,10-11H2.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine?
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 322.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120754425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).