1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol

C18H36N2O — CID 83995270

IUPAC1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(C)(C)C)CN(C2CCC2)C1
InChIInChI=1S/C18H36N2O/c1-5-17(21)10-14-9-15(19-13-18(2,3)4)12-20(11-14)16-7-6-8-16/h14-17,19,21H,5-13H2,1-4H3
InChIKeyKIFGKGHBSJILNX-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.03
Rot. Bonds6

About 1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol

1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83995270) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol
PubChem CID83995270
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(C)(C)C)CN(C2CCC2)C1
InChIInChI=1S/C18H36N2O/c1-5-17(21)10-14-9-15(19-13-18(2,3)4)12-20(11-14)16-7-6-8-16/h14-17,19,21H,5-13H2,1-4H3
InChIKeyKIFGKGHBSJILNX-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996653
1-[1-cyclobutyl-5-(cyclohexylamino)piperidin-3-yl]butan-2-ol
CID 83999419
1-[1-cyclopropyl-5-(methylamino)piperidin-3-yl]butan-2-ol
CID 83989886
1-[1-cyclopropyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995239
1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992539
5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992442
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
1-cyclopropyl-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992454
1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992444
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
CID 83997612
1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol
CID 83994848
2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
CID 83990535

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol (CID 83995270) is 1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC(C)(C)C)CN(C2CCC2)C1.
What is the InChIKey of 1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is KIFGKGHBSJILNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-17(21)10-14-9-15(19-13-18(2,3)4)12-20(11-14)16-7-6-8-16/h14-17,19,21H,5-13H2,1-4H3.
What are the key properties of 1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol?
1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 296.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83995270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).