2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol

C17H34N2O — CID 83995969

IUPAC2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
SMILESCC(C)CCNC1CC(CCO)CN(C2CC(C)C2)C1
InChIInChI=1S/C17H34N2O/c1-13(2)4-6-18-16-10-15(5-7-20)11-19(12-16)17-8-14(3)9-17/h13-18,20H,4-12H2,1-3H3
InChIKeyMKSFZAWFKMVAMJ-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.49
Rot. Bonds7

About 2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol

2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol (PubChem CID 83995969) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
PubChem CID83995969
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
SMILESCC(C)CCNC1CC(CCO)CN(C2CC(C)C2)C1
InChIInChI=1S/C17H34N2O/c1-13(2)4-6-18-16-10-15(5-7-20)11-19(12-16)17-8-14(3)9-17/h13-18,20H,4-12H2,1-3H3
InChIKeyMKSFZAWFKMVAMJ-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(cyclopropylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
CID 83996660
2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
CID 83995891
1-cyclopentyl-N-(3-methylbutyl)-5-propylpiperidin-3-amine
CID 83995902
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
1-cyclopropyl-5-methyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995913
3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83998736
3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83999427
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
CID 83995997
2-[1-cyclobutyl-5-(cyclobutylmethylamino)piperidin-3-yl]ethanol
CID 83997337
2-[1-cyclopentyl-5-(methylamino)piperidin-3-yl]ethanol
CID 83989863
N-[1-cyclobutyl-5-(2-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide
CID 112542837
3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol (CID 83995969) is 2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol is CC(C)CCNC1CC(CCO)CN(C2CC(C)C2)C1.
What is the InChIKey of 2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol?
The InChIKey is MKSFZAWFKMVAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)4-6-18-16-10-15(5-7-20)11-19(12-16)17-8-14(3)9-17/h13-18,20H,4-12H2,1-3H3.
What are the key properties of 2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol?
2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol has a molecular weight of 282.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 83995969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).