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

C19H36N2O — CID 83999401

IUPAC1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NC2CCCCC2)CN(C2CCCCC2)C1
InChIInChI=1S/C19H36N2O/c1-15(22)16-12-18(20-17-8-4-2-5-9-17)14-21(13-16)19-10-6-3-7-11-19/h15-20,22H,2-14H2,1H3
InChIKeyPNTGVLQUUPMIAW-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.31
Rot. Bonds4

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

1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol (PubChem CID 83999401) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol
PubChem CID83999401
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NC2CCCCC2)CN(C2CCCCC2)C1
InChIInChI=1S/C19H36N2O/c1-15(22)16-12-18(20-17-8-4-2-5-9-17)14-21(13-16)19-10-6-3-7-11-19/h15-20,22H,2-14H2,1H3
InChIKeyPNTGVLQUUPMIAW-UHFFFAOYSA-N
XLogP3.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol
CID 83996635
N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542393
1-[1-cyclobutyl-5-(cyclohexylamino)piperidin-3-yl]butan-2-ol
CID 83999419
N,1-dicyclohexyl-5-ethylpiperidin-3-amine
CID 83999396
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993163
1-[5-(cyclopropylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]ethanol
CID 83991863
5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
CID 83999424
1-cyclopentyl-N-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83994520
2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid
CID 83999366
N,1-dicyclohexylpiperidin-3-amine
CID 83999394
3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83999427
1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991690

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol (CID 83999401) is 1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol is CC(O)C1CC(NC2CCCCC2)CN(C2CCCCC2)C1.
What is the InChIKey of 1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol?
The InChIKey is PNTGVLQUUPMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-15(22)16-12-18(20-17-8-4-2-5-9-17)14-21(13-16)19-10-6-3-7-11-19/h15-20,22H,2-14H2,1H3.
What are the key properties of 1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol?
1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol has a molecular weight of 308.51 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83999401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).