1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol

C16H26N2OS — CID 46888028

IUPAC1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2cccs2)CCCCC1
InChIInChI=1S/C16H26N2OS/c19-16(6-2-1-3-7-16)14(15-5-4-12-20-15)13-18-10-8-17-9-11-18/h4-5,12,14,17,19H,1-3,6-11,13H2
InChIKeyIWXNUOQJTVYMHH-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.43
Rot. Bonds4

About 1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol

1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol (PubChem CID 46888028) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol
PubChem CID46888028
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2cccs2)CCCCC1
InChIInChI=1S/C16H26N2OS/c19-16(6-2-1-3-7-16)14(15-5-4-12-20-15)13-18-10-8-17-9-11-18/h4-5,12,14,17,19H,1-3,6-11,13H2
InChIKeyIWXNUOQJTVYMHH-UHFFFAOYSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.43
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-thiophen-2-ylethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol (CID 46888028) is 1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol is OC1(C(CN2CCNCC2)c2cccs2)CCCCC1.
What is the InChIKey of 1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol?
The InChIKey is IWXNUOQJTVYMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c19-16(6-2-1-3-7-16)14(15-5-4-12-20-15)13-18-10-8-17-9-11-18/h4-5,12,14,17,19H,1-3,6-11,13H2.
What are the key properties of 1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol?
1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol has a molecular weight of 294.46 g/mol, XLogP of 2.43, 4 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-thiophen-2-ylethyl)cyclohexan-1-ol is sourced from PubChem (CID 46888028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).