1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol

C20H40N2O — CID 83998394

IUPAC1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC2CCCCC2)CN(CC(C)C)C1
InChIInChI=1S/C20H40N2O/c1-4-20(23)11-18-10-19(15-22(14-18)13-16(2)3)21-12-17-8-6-5-7-9-17/h16-21,23H,4-15H2,1-3H3
InChIKeyPFQMWBXICCWAOA-UHFFFAOYSA-N
MW324.55 g/mol
LogP3.66
Rot. Bonds8

About 1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol

1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol (PubChem CID 83998394) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
PubChem CID83998394
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC2CCCCC2)CN(CC(C)C)C1
InChIInChI=1S/C20H40N2O/c1-4-20(23)11-18-10-19(15-22(14-18)13-16(2)3)21-12-17-8-6-5-7-9-17/h16-21,23H,4-15H2,1-3H3
InChIKeyPFQMWBXICCWAOA-UHFFFAOYSA-N
XLogP3.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
CID 83998265
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
CID 83997612
1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83997701
N-(cyclopentylmethyl)-5-(cyclopropylmethyl)-1-(2-methylpropyl)piperidin-3-amine
CID 83997691
1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996881
N-(cyclopentylmethyl)-5-methyl-1-(2-methylpropyl)piperidin-3-amine
CID 83997686
1-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996653
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83996998
1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83999141
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol (CID 83998394) is 1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC2CCCCC2)CN(CC(C)C)C1.
What is the InChIKey of 1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol?
The InChIKey is PFQMWBXICCWAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-4-20(23)11-18-10-19(15-22(14-18)13-16(2)3)21-12-17-8-6-5-7-9-17/h16-21,23H,4-15H2,1-3H3.
What are the key properties of 1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol?
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol has a molecular weight of 324.55 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83998394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).