1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol

C16H25BrN2OS — CID 11152988

IUPAC1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2cc(Br)cs2)CCCCC1
InChIInChI=1S/C16H25BrN2OS/c17-13-10-15(21-12-13)14(11-19-8-6-18-7-9-19)16(20)4-2-1-3-5-16/h10,12,14,18,20H,1-9,11H2
InChIKeyFOCUTFWDGVSLBZ-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.19
Rot. Bonds4

About 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol

1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 11152988) has the molecular formula C16H25BrN2OS and a molecular weight of 373.36 g/mol. Its IUPAC name is 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID11152988
Molecular FormulaC16H25BrN2OS
Molecular Weight373.36 g/mol
Exact Mass372.09
IUPAC Name1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2cc(Br)cs2)CCCCC1
InChIInChI=1S/C16H25BrN2OS/c17-13-10-15(21-12-13)14(11-19-8-6-18-7-9-19)16(20)4-2-1-3-5-16/h10,12,14,18,20H,1-9,11H2
InChIKeyFOCUTFWDGVSLBZ-UHFFFAOYSA-N
XLogP3.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 11152988) is 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol is OC1(C(CN2CCNCC2)c2cc(Br)cs2)CCCCC1.
What is the InChIKey of 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is FOCUTFWDGVSLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2OS/c17-13-10-15(21-12-13)14(11-19-8-6-18-7-9-19)16(20)4-2-1-3-5-16/h10,12,14,18,20H,1-9,11H2.
What are the key properties of 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 373.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 11152988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).