2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

C18H30N2O2 — CID 45187220

IUPAC2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(C3CCCCC3)C(CCO)C2)o1
InChIInChI=1S/C18H30N2O2/c1-15-7-8-18(22-15)14-19-10-11-20(17(13-19)9-12-21)16-5-3-2-4-6-16/h7-8,16-17,21H,2-6,9-14H2,1H3
InChIKeyLFLNIBWCWWUDCE-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.79
Rot. Bonds5

About 2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45187220) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45187220
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(C3CCCCC3)C(CCO)C2)o1
InChIInChI=1S/C18H30N2O2/c1-15-7-8-18(22-15)14-19-10-11-20(17(13-19)9-12-21)16-5-3-2-4-6-16/h7-8,16-17,21H,2-6,9-14H2,1H3
InChIKeyLFLNIBWCWWUDCE-UHFFFAOYSA-N
XLogP2.79
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-cyclopentyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 45252016
2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45231803
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901
2-[(2R)-4-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 98580104
2-[(2S)-1-cyclohexyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 28733456
2-[(5-methylfuran-2-yl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925763
2-[(2S)-1-cyclohexyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 29212786
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[(2S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol
CID 28770030
2-[4-[(5-methylfuran-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45193506
2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45252298
2-[1-cyclopentyl-4-[(2,3,6-trifluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45212647

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (CID 45187220) is 2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(C3CCCCC3)C(CCO)C2)o1.
What is the InChIKey of 2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is LFLNIBWCWWUDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-15-7-8-18(22-15)14-19-10-11-20(17(13-19)9-12-21)16-5-3-2-4-6-16/h7-8,16-17,21H,2-6,9-14H2,1H3.
What are the key properties of 2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 306.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45187220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).