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

C23H29ClN2 — CID 118119338

IUPAC1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine
SMILESClc1ccc([C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C23H29ClN2/c24-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)26-17-15-25(16-18-26)22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2/t23-/m0/s1
InChIKeyDCSNLCBRULYRPF-QHCPKHFHSA-N
MW368.95 g/mol
LogP5.38
Rot. Bonds4

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

1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine (PubChem CID 118119338) has the molecular formula C23H29ClN2 and a molecular weight of 368.95 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine
PubChem CID118119338
Molecular FormulaC23H29ClN2
Molecular Weight368.95 g/mol
Exact Mass368.20
IUPAC Name1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine
SMILESClc1ccc([C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C23H29ClN2/c24-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)26-17-15-25(16-18-26)22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2/t23-/m0/s1
InChIKeyDCSNLCBRULYRPF-QHCPKHFHSA-N
XLogP5.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.95
LogP ≤ 55.38
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-cyclohexylpiperazine?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine (CID 118119338) is 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine is Clc1ccc([C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine?
The InChIKey is DCSNLCBRULYRPF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29ClN2/c24-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)26-17-15-25(16-18-26)22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2/t23-/m0/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine?
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine has a molecular weight of 368.95 g/mol, XLogP of 5.38, 4 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-cyclohexylpiperazine is sourced from PubChem (CID 118119338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).