1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine

C16H17Cl2N3 — CID 25218276

IUPAC1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2ccnc(-c3cccc(Cl)c3Cl)c2)CC1
InChIInChI=1S/C16H17Cl2N3/c1-20-7-9-21(10-8-20)12-5-6-19-15(11-12)13-3-2-4-14(17)16(13)18/h2-6,11H,7-10H2,1H3
InChIKeyLOHMAINTPCDQKV-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.81
Rot. Bonds2

About 1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine

1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine (PubChem CID 25218276) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
PubChem CID25218276
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2ccnc(-c3cccc(Cl)c3Cl)c2)CC1
InChIInChI=1S/C16H17Cl2N3/c1-20-7-9-21(10-8-20)12-5-6-19-15(11-12)13-3-2-4-14(17)16(13)18/h2-6,11H,7-10H2,1H3
InChIKeyLOHMAINTPCDQKV-UHFFFAOYSA-N
XLogP3.81
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
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(-)-Chlorpheniramine
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CID 10315110
13-Chloro-2-(1-propan-2-ylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 68168663
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CID 31843
Cycliramine
CID 22017
1-[(2,6-dichlorophenyl)methyl]-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 9549161
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779066
1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine
CID 1473522
8-Chloro-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine (CID 25218276) is 1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine is CN1CCN(c2ccnc(-c3cccc(Cl)c3Cl)c2)CC1.
What is the InChIKey of 1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine?
The InChIKey is LOHMAINTPCDQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-20-7-9-21(10-8-20)12-5-6-19-15(11-12)13-3-2-4-14(17)16(13)18/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine?
1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine has a molecular weight of 322.24 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 25218276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).