3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one

C15H30N2O2 — CID 107217001

IUPAC3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
SMILESCC(C)(C)CC(N)CC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H30N2O2/c1-15(2,3)10-13(16)9-14(19)17-7-4-5-12(11-17)6-8-18/h12-13,18H,4-11,16H2,1-3H3
InChIKeyXLLGCDCGDGOUOD-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.76
Rot. Bonds5

About 3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one

3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one (PubChem CID 107217001) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
PubChem CID107217001
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
SMILESCC(C)(C)CC(N)CC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H30N2O2/c1-15(2,3)10-13(16)9-14(19)17-7-4-5-12(11-17)6-8-18/h12-13,18H,4-11,16H2,1-3H3
InChIKeyXLLGCDCGDGOUOD-UHFFFAOYSA-N
XLogP1.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-hydroxyethyl)piperidin-1-yl]-3,5,5-trimethylhexan-1-one
CID 62372863
3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 102957596
2-tert-butylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 55064897
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
(2S)-2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 103950968
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 103950960
2-ethoxy-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372171
3,3,3-trifluoro-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103310164
1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 63766130
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one?
The IUPAC name of 3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one (CID 107217001) is 3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one.
What is the SMILES notation for 3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one?
The canonical SMILES for 3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one is CC(C)(C)CC(N)CC(=O)N1CCCC(CCO)C1.
What is the InChIKey of 3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one?
The InChIKey is XLLGCDCGDGOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,3)10-13(16)9-14(19)17-7-4-5-12(11-17)6-8-18/h12-13,18H,4-11,16H2,1-3H3.
What are the key properties of 3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one?
3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one has a molecular weight of 270.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one is sourced from PubChem (CID 107217001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).