3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol

C18H36N2O — CID 83995289

IUPAC3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
SMILESCC1CCC1N1CC(CCCO)CC(NCC(C)(C)C)C1
InChIInChI=1S/C18H36N2O/c1-14-7-8-17(14)20-11-15(6-5-9-21)10-16(12-20)19-13-18(2,3)4/h14-17,19,21H,5-13H2,1-4H3
InChIKeyFIJMMDBNZQKHDE-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.88
Rot. Bonds6

About 3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol

3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol (PubChem CID 83995289) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
PubChem CID83995289
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
SMILESCC1CCC1N1CC(CCCO)CC(NCC(C)(C)C)C1
InChIInChI=1S/C18H36N2O/c1-14-7-8-17(14)20-11-15(6-5-9-21)10-16(12-20)19-13-18(2,3)4/h14-17,19,21H,5-13H2,1-4H3
InChIKeyFIJMMDBNZQKHDE-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992518
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101
3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83998736
3-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996650
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544038
2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83995129
N-[1-(2-methylcyclobutyl)-5-propylpiperidin-3-yl]acetamide
CID 112541963
2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
CID 83998054

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol (CID 83995289) is 3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol is CC1CCC1N1CC(CCCO)CC(NCC(C)(C)C)C1.
What is the InChIKey of 3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The InChIKey is FIJMMDBNZQKHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14-7-8-17(14)20-11-15(6-5-9-21)10-16(12-20)19-13-18(2,3)4/h14-17,19,21H,5-13H2,1-4H3.
What are the key properties of 3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83995289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).