1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine

C16H17Cl2N3 — CID 61256997

IUPAC1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
SMILESClCc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C16H17Cl2N3/c17-11-13-4-5-16(19-12-13)21-8-6-20(7-9-21)15-3-1-2-14(18)10-15/h1-5,10,12H,6-9,11H2
InChIKeyGJLFMVOHFRADJY-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.80
Rot. Bonds3

About 1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine

1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine (PubChem CID 61256997) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
PubChem CID61256997
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
SMILESClCc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C16H17Cl2N3/c17-11-13-4-5-16(19-12-13)21-8-6-20(7-9-21)15-3-1-2-14(18)10-15/h1-5,10,12H,6-9,11H2
InChIKeyGJLFMVOHFRADJY-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 9282287
4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 61256629
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151896
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
CID 113014392
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 63960873
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one
CID 19245531
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195

Frequently Asked Questions

What is the IUPAC name of 1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine (CID 61256997) is 1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine is ClCc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1.
What is the InChIKey of 1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine?
The InChIKey is GJLFMVOHFRADJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c17-11-13-4-5-16(19-12-13)21-8-6-20(7-9-21)15-3-1-2-14(18)10-15/h1-5,10,12H,6-9,11H2.
What are the key properties of 1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine?
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine has a molecular weight of 322.24 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 61256997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).