1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine

C17H19ClN2 — CID 6540880

IUPAC1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
SMILESClc1ccc([C@H](c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2/t17-/m0/s1
InChIKeyUZKBSZSTDQSMDR-KRWDZBQOSA-N
MW286.81 g/mol
LogP3.33
Rot. Bonds3

About 1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine

1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine (PubChem CID 6540880) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
PubChem CID6540880
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
SMILESClc1ccc([C@H](c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2/t17-/m0/s1
InChIKeyUZKBSZSTDQSMDR-KRWDZBQOSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine (CID 6540880) is 1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine is Clc1ccc([C@H](c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine?
The InChIKey is UZKBSZSTDQSMDR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2/t17-/m0/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine?
1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine has a molecular weight of 286.81 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 6540880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).