1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine

C19H22ClN3 — CID 82225075

IUPAC1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCc1cc(N2CCN(C/C=C/c3ccccc3)CC2)cnc1Cl
InChIInChI=1S/C19H22ClN3/c1-16-14-18(15-21-19(16)20)23-12-10-22(11-13-23)9-5-8-17-6-3-2-4-7-17/h2-8,14-15H,9-13H2,1H3/b8-5+
InChIKeyYYXQMEBWDOMDJB-VMPITWQZSA-N
MW327.86 g/mol
LogP3.88
Rot. Bonds4

About 1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine

1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 82225075) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID82225075
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCc1cc(N2CCN(C/C=C/c3ccccc3)CC2)cnc1Cl
InChIInChI=1S/C19H22ClN3/c1-16-14-18(15-21-19(16)20)23-12-10-22(11-13-23)9-5-8-17-6-3-2-4-7-17/h2-8,14-15H,9-13H2,1H3/b8-5+
InChIKeyYYXQMEBWDOMDJB-VMPITWQZSA-N
XLogP3.88
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.88
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

1-(3,5-dichloro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 6211958
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
6-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407339
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide
CID 113029507
1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 10293563
1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine
CID 57083687
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 113029514

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 82225075) is 1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)cnc1Cl.
What is the InChIKey of 1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is YYXQMEBWDOMDJB-VMPITWQZSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-16-14-18(15-21-19(16)20)23-12-10-22(11-13-23)9-5-8-17-6-3-2-4-7-17/h2-8,14-15H,9-13H2,1H3/b8-5+.
What are the key properties of 1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 327.86 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 82225075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).