1-chloro-3-phenylpiperazine

C10H13ClN2 — CID 18428014

IUPAC1-chloro-3-phenylpiperazine
SMILESClN1CCNC(c2ccccc2)C1
InChIInChI=1S/C10H13ClN2/c11-13-7-6-12-10(8-13)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeySTEKVPNQKOTVMI-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.79
Rot. Bonds1

About 1-chloro-3-phenylpiperazine

1-chloro-3-phenylpiperazine (PubChem CID 18428014) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-chloro-3-phenylpiperazine.

Molecular Properties

Compound Name1-chloro-3-phenylpiperazine
PubChem CID18428014
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name1-chloro-3-phenylpiperazine
SMILESClN1CCNC(c2ccccc2)C1
InChIInChI=1S/C10H13ClN2/c11-13-7-6-12-10(8-13)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeySTEKVPNQKOTVMI-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
CID 107901367
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine
CID 64924315
1-(2,6-dibromophenyl)-3-phenylpiperazine
CID 107603858
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
3-(4-chlorophenyl)-1-phenylpiperazine
CID 68577139
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472
1,3-diphenyl-1,4-diazepane
CID 64944093
3-chloro-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110480873
1-(4-methylpentan-2-yl)-3-phenylpiperazine
CID 64924253
1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine
CID 113473072

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-phenylpiperazine?
The IUPAC name of 1-chloro-3-phenylpiperazine (CID 18428014) is 1-chloro-3-phenylpiperazine.
What is the SMILES notation for 1-chloro-3-phenylpiperazine?
The canonical SMILES for 1-chloro-3-phenylpiperazine is ClN1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-chloro-3-phenylpiperazine?
The InChIKey is STEKVPNQKOTVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-13-7-6-12-10(8-13)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2.
What are the key properties of 1-chloro-3-phenylpiperazine?
1-chloro-3-phenylpiperazine has a molecular weight of 196.68 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-phenylpiperazine is sourced from PubChem (CID 18428014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).