1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine

C21H27ClN2 — CID 118119344

IUPAC1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-17(2)16-23-12-14-24(15-13-23)21(18-6-4-3-5-7-18)19-8-10-20(22)11-9-19/h3-11,17,21H,12-16H2,1-2H3/t21-/m0/s1
InChIKeySEOWHCGDKOPIBC-NRFANRHFSA-N
MW342.91 g/mol
LogP4.70
Rot. Bonds5

About 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine

1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine (PubChem CID 118119344) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine
PubChem CID118119344
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC Name1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-17(2)16-23-12-14-24(15-13-23)21(18-6-4-3-5-7-18)19-8-10-20(22)11-9-19/h3-11,17,21H,12-16H2,1-2H3/t21-/m0/s1
InChIKeySEOWHCGDKOPIBC-NRFANRHFSA-N
XLogP4.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine (CID 118119344) is 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine is CC(C)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine?
The InChIKey is SEOWHCGDKOPIBC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27ClN2/c1-17(2)16-23-12-14-24(15-13-23)21(18-6-4-3-5-7-18)19-8-10-20(22)11-9-19/h3-11,17,21H,12-16H2,1-2H3/t21-/m0/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine?
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine has a molecular weight of 342.91 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 118119344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).