1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol

C22H30N2OS — CID 11406077

IUPAC1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2ccc(-c3ccsc3)cc2)CCCCC1
InChIInChI=1S/C22H30N2OS/c25-22(9-2-1-3-10-22)21(16-24-13-11-23-12-14-24)19-6-4-18(5-7-19)20-8-15-26-17-20/h4-8,15,17,21,23,25H,1-3,9-14,16H2
InChIKeyMBBDNVKWELRTOX-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.10
Rot. Bonds5

About 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol

1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol (PubChem CID 11406077) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol
PubChem CID11406077
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC Name1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2ccc(-c3ccsc3)cc2)CCCCC1
InChIInChI=1S/C22H30N2OS/c25-22(9-2-1-3-10-22)21(16-24-13-11-23-12-14-24)19-6-4-18(5-7-19)20-8-15-26-17-20/h4-8,15,17,21,23,25H,1-3,9-14,16H2
InChIKeyMBBDNVKWELRTOX-UHFFFAOYSA-N
XLogP4.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol (CID 11406077) is 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol is OC1(C(CN2CCNCC2)c2ccc(-c3ccsc3)cc2)CCCCC1.
What is the InChIKey of 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is MBBDNVKWELRTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS/c25-22(9-2-1-3-10-22)21(16-24-13-11-23-12-14-24)19-6-4-18(5-7-19)20-8-15-26-17-20/h4-8,15,17,21,23,25H,1-3,9-14,16H2.
What are the key properties of 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol?
1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 370.56 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 11406077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).