2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol

C18H36N2O — CID 83995340

IUPAC2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
SMILESCC(C1CCC1)N1CC(CCO)CC(NCC(C)(C)C)C1
InChIInChI=1S/C18H36N2O/c1-14(16-6-5-7-16)20-11-15(8-9-21)10-17(12-20)19-13-18(2,3)4/h14-17,19,21H,5-13H2,1-4H3
InChIKeyVEHNEHWQABHUKY-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.88
Rot. Bonds6

About 2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol

2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol (PubChem CID 83995340) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
PubChem CID83995340
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
SMILESCC(C1CCC1)N1CC(CCO)CC(NCC(C)(C)C)C1
InChIInChI=1S/C18H36N2O/c1-14(16-6-5-7-16)20-11-15(8-9-21)10-17(12-20)19-13-18(2,3)4/h14-17,19,21H,5-13H2,1-4H3
InChIKeyVEHNEHWQABHUKY-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

1-(1-cyclobutylethyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995335
1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995339
3-[5-(cyclobutylmethylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]propan-1-ol
CID 83997394
3-[1-(1-cyclopropylethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990589
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994977
2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
CID 83998440
1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992572
5-butyl-1-(1-cyclopropylethyl)-N-ethylpiperidin-3-amine
CID 83990582
2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83995129

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol (CID 83995340) is 2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol is CC(C1CCC1)N1CC(CCO)CC(NCC(C)(C)C)C1.
What is the InChIKey of 2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol?
The InChIKey is VEHNEHWQABHUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(16-6-5-7-16)20-11-15(8-9-21)10-17(12-20)19-13-18(2,3)4/h14-17,19,21H,5-13H2,1-4H3.
What are the key properties of 2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol?
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol 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 2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83995340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).