1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol

C18H36N2O — CID 83999141

IUPAC1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NC2CCCCC2)CN(C(C)C)C1
InChIInChI=1S/C18H36N2O/c1-4-18(21)11-15-10-17(13-20(12-15)14(2)3)19-16-8-6-5-7-9-16/h14-19,21H,4-13H2,1-3H3
InChIKeyKLPYLEMHRSOBFL-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.17
Rot. Bonds6

About 1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol

1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol (PubChem CID 83999141) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
PubChem CID83999141
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NC2CCCCC2)CN(C(C)C)C1
InChIInChI=1S/C18H36N2O/c1-4-18(21)11-15-10-17(13-20(12-15)14(2)3)19-16-8-6-5-7-9-16/h14-19,21H,4-13H2,1-3H3
InChIKeyKLPYLEMHRSOBFL-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-cyclobutyl-5-(cyclohexylamino)piperidin-3-yl]butan-2-ol
CID 83999419
1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83994299
1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone
CID 83991645
1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83993131
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol
CID 83999478
1-butan-2-yl-N-cyclopropyl-5-propylpiperidin-3-amine
CID 83991740
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate
CID 83999822
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
CID 83997612
1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997066
1-[1-cyclopropyl-5-(methylamino)piperidin-3-yl]butan-2-ol
CID 83989886

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol (CID 83999141) is 1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NC2CCCCC2)CN(C(C)C)C1.
What is the InChIKey of 1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol?
The InChIKey is KLPYLEMHRSOBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-18(21)11-15-10-17(13-20(12-15)14(2)3)19-16-8-6-5-7-9-16/h14-19,21H,4-13H2,1-3H3.
What are the key properties of 1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol?
1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol has a molecular weight of 296.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83999141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).