4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol

C24H32N2O2 — CID 22122110

IUPAC4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-28-23-9-7-21(8-10-23)24(27)13-11-22(12-14-24)26-17-15-25(16-18-26)19-20-5-3-2-4-6-20/h2-10,22,27H,11-19H2,1H3
InChIKeyNRHFETWMELMFCQ-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.64
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol

4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol (PubChem CID 22122110) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol
PubChem CID22122110
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-28-23-9-7-21(8-10-23)24(27)13-11-22(12-14-24)26-17-15-25(16-18-26)19-20-5-3-2-4-6-20/h2-10,22,27H,11-19H2,1H3
InChIKeyNRHFETWMELMFCQ-UHFFFAOYSA-N
XLogP3.64
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol (CID 22122110) is 4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol is COc1ccc(C2(O)CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is NRHFETWMELMFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-28-23-9-7-21(8-10-23)24(27)13-11-22(12-14-24)26-17-15-25(16-18-26)19-20-5-3-2-4-6-20/h2-10,22,27H,11-19H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol?
4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 380.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 22122110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).