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

C16H26BrClN2OS — CID 141128619

IUPAC1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride
SMILESCl.OC1(C(CN2CCNCC2)c2cc(Br)cs2)CCCCC1
InChIInChI=1S/C16H25BrN2OS.ClH/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;1H
InChIKeyTUJDHKKSLOWHRT-UHFFFAOYSA-N
MW409.82 g/mol
LogP3.62
Rot. Bonds4

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

1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride (PubChem CID 141128619) has the molecular formula C16H26BrClN2OS and a molecular weight of 409.82 g/mol. Its IUPAC name is 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride
PubChem CID141128619
Molecular FormulaC16H26BrClN2OS
Molecular Weight409.82 g/mol
Exact Mass408.06
IUPAC Name1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride
SMILESCl.OC1(C(CN2CCNCC2)c2cc(Br)cs2)CCCCC1
InChIInChI=1S/C16H25BrN2OS.ClH/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;1H
InChIKeyTUJDHKKSLOWHRT-UHFFFAOYSA-N
XLogP3.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.82
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride with MolForge

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Related Compounds

1-[1-(5-Chlorothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11324941
1-(2-Piperazin-1-yl-1-thiophen-2-ylethyl)cyclohexan-1-ol
CID 46888028
1-[1-(4-Bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11152988
1-[1-(5-Bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11211006
1-[2-Piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol
CID 11406077
5-[(4-Bromothiophen-2-yl)methyl]-3,6-dimethyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol
CID 67872565
2-[1-(5-Bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68852021
4-[2-(4-Bromothiophen-2-yl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-1-carboxylic acid
CID 68852216
4-[1-(4-Bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68852568
1-[2-(4-Bromothiophen-2-yl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-2-carboxylic acid
CID 68853616
1-[1-(4-Bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68854080
1-[1-(5-bromothien-2-yl)-2-piperazin-1-ylethyl]cyclohexanol Dihydrochloride
CID 68855048

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride (CID 141128619) is 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride is Cl.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;hydrochloride?
The InChIKey is TUJDHKKSLOWHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2OS.ClH/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;1H.
What are the key properties of 1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride?
1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 409.82 g/mol, XLogP of 3.62, 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;hydrochloride is sourced from PubChem (CID 141128619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).