1,2-dichloro-3-phenylpiperazine

C10H12Cl2N2 — CID 154436047

IUPAC1,2-dichloro-3-phenylpiperazine
SMILESClC1C(c2ccccc2)NCCN1Cl
InChIInChI=1S/C10H12Cl2N2/c11-10-9(13-6-7-14(10)12)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2
InChIKeyCBXLXFRIILDJHD-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.35
Rot. Bonds1

About 1,2-dichloro-3-phenylpiperazine

1,2-dichloro-3-phenylpiperazine (PubChem CID 154436047) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 1,2-dichloro-3-phenylpiperazine.

Molecular Properties

Compound Name1,2-dichloro-3-phenylpiperazine
PubChem CID154436047
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name1,2-dichloro-3-phenylpiperazine
SMILESClC1C(c2ccccc2)NCCN1Cl
InChIInChI=1S/C10H12Cl2N2/c11-10-9(13-6-7-14(10)12)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2
InChIKeyCBXLXFRIILDJHD-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenylpiperazine;hydrochloride
CID 175072756
1-chloro-3-phenylpiperazine
CID 18428014
(2S,3R)-1-methyl-2,3-diphenylpiperazine
CID 141484879
2,3-diphenylthiomorpholine
CID 13166168
ethane;3-methyl-2-phenylpyrrolidine
CID 162762531
(2R,3S)-2,3-diphenylmorpholine
CID 56957923
2-phenylpiperidin-3-ol
CID 18782643
[(2R,3R)-2-phenylpiperidin-3-yl]azanium
CID 59904937
1,2-diphenylimidazolidine
CID 22475925
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
(2S,3S)-3-fluoro-2-phenylpiperidine
CID 167716919
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-phenylpiperazine?
The IUPAC name of 1,2-dichloro-3-phenylpiperazine (CID 154436047) is 1,2-dichloro-3-phenylpiperazine.
What is the SMILES notation for 1,2-dichloro-3-phenylpiperazine?
The canonical SMILES for 1,2-dichloro-3-phenylpiperazine is ClC1C(c2ccccc2)NCCN1Cl.
What is the InChIKey of 1,2-dichloro-3-phenylpiperazine?
The InChIKey is CBXLXFRIILDJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-10-9(13-6-7-14(10)12)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2.
What are the key properties of 1,2-dichloro-3-phenylpiperazine?
1,2-dichloro-3-phenylpiperazine has a molecular weight of 231.13 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-phenylpiperazine is sourced from PubChem (CID 154436047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).