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

C16H34N2O — CID 83995891

IUPAC2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
SMILESCCC(C)N1CC(CCO)CC(NCCC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-5-14(4)18-11-15(7-9-19)10-16(12-18)17-8-6-13(2)3/h13-17,19H,5-12H2,1-4H3
InChIKeySTGHQPHVURJUPJ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.49
Rot. Bonds8

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

2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol (PubChem CID 83995891) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
PubChem CID83995891
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
SMILESCCC(C)N1CC(CCO)CC(NCCC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-5-14(4)18-11-15(7-9-19)10-16(12-18)17-8-6-13(2)3/h13-17,19H,5-12H2,1-4H3
InChIKeySTGHQPHVURJUPJ-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83995888
2-(5-amino-1-butan-2-ylpiperidin-3-yl)ethanol
CID 83989238
2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
CID 83995969
3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992434
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
CID 83998440
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
CID 83995997
1-butan-2-yl-N-cyclopropyl-5-propylpiperidin-3-amine
CID 83991740
5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
CID 83995669
2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83995675
1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83993131
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340

Frequently Asked Questions

What is the IUPAC name of 2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol (CID 83995891) is 2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol is CCC(C)N1CC(CCO)CC(NCCC(C)C)C1.
What is the InChIKey of 2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol?
The InChIKey is STGHQPHVURJUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-14(4)18-11-15(7-9-19)10-16(12-18)17-8-6-13(2)3/h13-17,19H,5-12H2,1-4H3.
What are the key properties of 2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol?
2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol has a molecular weight of 270.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83995891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).