2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol

C16H26N2OS — CID 10308365

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
SMILESCN1CCN(CC2CCCCC2(O)c2cccs2)CC1
InChIInChI=1S/C16H26N2OS/c1-17-8-10-18(11-9-17)13-14-5-2-3-7-16(14,19)15-6-4-12-20-15/h4,6,12,14,19H,2-3,5,7-11,13H2,1H3
InChIKeyAHDJZPVCDQINDA-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.37
Rot. Bonds3

About 2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol

2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol (PubChem CID 10308365) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
PubChem CID10308365
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
SMILESCN1CCN(CC2CCCCC2(O)c2cccs2)CC1
InChIInChI=1S/C16H26N2OS/c1-17-8-10-18(11-9-17)13-14-5-2-3-7-16(14,19)15-6-4-12-20-15/h4,6,12,14,19H,2-3,5,7-11,13H2,1H3
InChIKeyAHDJZPVCDQINDA-UHFFFAOYSA-N
XLogP2.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 163439773
2-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethynyl)cyclooctan-1-ol
CID 24887223
1,3-dimethyl-4-thiophen-2-ylpiperidin-4-ol
CID 130834241
[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol
CID 15103557
(2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl)methanol
CID 164513072
2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883
1-thiophen-2-ylcycloheptan-1-ol
CID 61103027
2-propyl-1-thiophen-2-ylcyclopropan-1-ol
CID 79332590
1-methyl-3-thiophen-2-ylpyrrolidin-3-ol
CID 62976900
2-(azepan-1-ylmethyl)-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 10125712
2-(azepan-1-ylmethyl)-1-(2,4-dichlorophenyl)cyclohexan-1-ol
CID 68802295
2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111637401

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol (CID 10308365) is 2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol is CN1CCN(CC2CCCCC2(O)c2cccs2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
The InChIKey is AHDJZPVCDQINDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-17-8-10-18(11-9-17)13-14-5-2-3-7-16(14,19)15-6-4-12-20-15/h4,6,12,14,19H,2-3,5,7-11,13H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol has a molecular weight of 294.46 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 10308365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).