3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol

C19H36N2O — CID 83999427

IUPAC3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
SMILESCC1CC(N2CC(CCCO)CC(NC3CCCCC3)C2)C1
InChIInChI=1S/C19H36N2O/c1-15-10-19(11-15)21-13-16(6-5-9-22)12-18(14-21)20-17-7-3-2-4-8-17/h15-20,22H,2-14H2,1H3
InChIKeyKIZXUKVJJCTJJH-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.17
Rot. Bonds6

About 3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol

3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol (PubChem CID 83999427) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
PubChem CID83999427
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
SMILESCC1CC(N2CC(CCCO)CC(NC3CCCCC3)C2)C1
InChIInChI=1S/C19H36N2O/c1-15-10-19(11-15)21-13-16(6-5-9-22)12-18(14-21)20-17-7-3-2-4-8-17/h15-20,22H,2-14H2,1H3
InChIKeyKIZXUKVJJCTJJH-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83998736
3-[1-cyclobutyl-5-(cyclopropylamino)piperidin-3-yl]propan-1-ol
CID 83991811
N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542404
3-[5-(cyclohexylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propan-1-ol
CID 83999621
5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
CID 83999424
5-butyl-1-cyclopentyl-N-cyclopropylpiperidin-3-amine
CID 83991758
2-[5-(cyclopropylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
CID 83996660
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
N,1-dicyclohexyl-5-ethylpiperidin-3-amine
CID 83999396
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
3-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996650
2-[1-cyclopentyl-5-(methylamino)piperidin-3-yl]ethanol
CID 83989863

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol (CID 83999427) is 3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol is CC1CC(N2CC(CCCO)CC(NC3CCCCC3)C2)C1.
What is the InChIKey of 3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The InChIKey is KIZXUKVJJCTJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-15-10-19(11-15)21-13-16(6-5-9-22)12-18(14-21)20-17-7-3-2-4-8-17/h15-20,22H,2-14H2,1H3.
What are the key properties of 3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol has a molecular weight of 308.51 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 3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83999427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).