1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine

C17H18ClN3 — CID 163525747

IUPAC1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine
SMILESC=CN1CCN(c2cc(-c3ccccc3)cc(Cl)n2)CC1
InChIInChI=1S/C17H18ClN3/c1-2-20-8-10-21(11-9-20)17-13-15(12-16(18)19-17)14-6-4-3-5-7-14/h2-7,12-13H,1,8-11H2
InChIKeyDOPIEIJYCFJDNR-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.67
Rot. Bonds3

About 1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine

1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine (PubChem CID 163525747) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine.

Molecular Properties

Compound Name1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine
PubChem CID163525747
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine
SMILESC=CN1CCN(c2cc(-c3ccccc3)cc(Cl)n2)CC1
InChIInChI=1S/C17H18ClN3/c1-2-20-8-10-21(11-9-20)17-13-15(12-16(18)19-17)14-6-4-3-5-7-14/h2-7,12-13H,1,8-11H2
InChIKeyDOPIEIJYCFJDNR-UHFFFAOYSA-N
XLogP3.67
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.67
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

4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 2218329
1-methyl-4-(6-methyl-4-phenyl-2-pyridinyl)piperazine
CID 11010984
4-[6-(4-formylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881060
4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine
CID 170120523
2-chloro-6-fluoro-4-phenylpyridine
CID 118994306
2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
CID 104918654
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216
2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112879634
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine
CID 90015001
tert-butyl 4-[4-(2-chloro-6-morpholin-4-yl-4-pyridinyl)phenyl]piperazine-1-carboxylate
CID 86672044
4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine
CID 115914646
6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine
CID 112879622

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine?
The IUPAC name of 1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine (CID 163525747) is 1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine.
What is the SMILES notation for 1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine?
The canonical SMILES for 1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine is C=CN1CCN(c2cc(-c3ccccc3)cc(Cl)n2)CC1.
What is the InChIKey of 1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine?
The InChIKey is DOPIEIJYCFJDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-2-20-8-10-21(11-9-20)17-13-15(12-16(18)19-17)14-6-4-3-5-7-14/h2-7,12-13H,1,8-11H2.
What are the key properties of 1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine?
1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine has a molecular weight of 299.81 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine is sourced from PubChem (CID 163525747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).