2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol

C17H32N2O — CID 83999450

IUPAC2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol
SMILESOCCC1CC(NC2CCCCC2)CN(CC2CC2)C1
InChIInChI=1S/C17H32N2O/c20-9-8-15-10-17(18-16-4-2-1-3-5-16)13-19(12-15)11-14-6-7-14/h14-18,20H,1-13H2
InChIKeyYXSIXIXBDUTIBO-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.39
Rot. Bonds6

About 2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol

2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol (PubChem CID 83999450) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol
PubChem CID83999450
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol
SMILESOCCC1CC(NC2CCCCC2)CN(CC2CC2)C1
InChIInChI=1S/C17H32N2O/c20-9-8-15-10-17(18-16-4-2-1-3-5-16)13-19(12-15)11-14-6-7-14/h14-18,20H,1-13H2
InChIKeyYXSIXIXBDUTIBO-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(cyclohexylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 83999617
3-[5-(cyclohexylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propan-1-ol
CID 83999621
2-[1-(cyclopropylmethyl)-5-(propylamino)piperidin-3-yl]ethanol
CID 83991207
N-[1-(cyclopentylmethyl)-5-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542022
2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993226
N-cyclohexyl-1-(cyclopentylmethyl)-5-methylpiperidin-3-amine
CID 83999504
3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol
CID 83991255
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
1-(cyclohexylmethyl)-N-cyclopropyl-5-methylpiperidin-3-amine
CID 83991902
5-butyl-N-cyclohexyl-1-propylpiperidin-3-amine
CID 83999048
2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol
CID 83999478
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
CID 83995997

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol (CID 83999450) is 2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol is OCCC1CC(NC2CCCCC2)CN(CC2CC2)C1.
What is the InChIKey of 2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol?
The InChIKey is YXSIXIXBDUTIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c20-9-8-15-10-17(18-16-4-2-1-3-5-16)13-19(12-15)11-14-6-7-14/h14-18,20H,1-13H2.
What are the key properties of 2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol?
2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol has a molecular weight of 280.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 83999450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).