1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine

C16H17Cl2N3 — CID 116518761

IUPAC1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine
SMILESClc1cc(Cl)c(CN2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C16H17Cl2N3/c17-15-10-16(18)19-11-13(15)12-20-6-8-21(9-7-20)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2
InChIKeyVZVMGAIBPROEDV-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.71
Rot. Bonds3

About 1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine

1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine (PubChem CID 116518761) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine
PubChem CID116518761
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine
SMILESClc1cc(Cl)c(CN2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C16H17Cl2N3/c17-15-10-16(18)19-11-13(15)12-20-6-8-21(9-7-20)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2
InChIKeyVZVMGAIBPROEDV-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
3-chloro-4-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 571813
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
2-[(4,6-dichloro-3-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 116519047
7-chloro-6-[(4-phenylpiperazin-1-yl)methyl]-4-pyridin-3-ylchromen-2-one
CID 141046520
2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine
CID 103054050
CID 89272283
CID 89272283
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
CID 141118579
5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 22762631

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine (CID 116518761) is 1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine is Clc1cc(Cl)c(CN2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of 1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine?
The InChIKey is VZVMGAIBPROEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c17-15-10-16(18)19-11-13(15)12-20-6-8-21(9-7-20)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine?
1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine has a molecular weight of 322.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 116518761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).