6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one

C15H30N2O2 — CID 107217037

IUPAC6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H30N2O2/c1-12(5-3-6-13(2)16)15(19)17-9-4-7-14(11-17)8-10-18/h12-14,18H,3-11,16H2,1-2H3
InChIKeyZECFVBWEXIPTKK-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.76
Rot. Bonds7

About 6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one

6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one (PubChem CID 107217037) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one.

Molecular Properties

Compound Name6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one
PubChem CID107217037
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H30N2O2/c1-12(5-3-6-13(2)16)15(19)17-9-4-7-14(11-17)8-10-18/h12-14,18H,3-11,16H2,1-2H3
InChIKeyZECFVBWEXIPTKK-UHFFFAOYSA-N
XLogP1.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 65290352
4-[3-(2-hydroxyethyl)piperidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 107214215
5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104683725
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
CID 107217224
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 103950960
(2S)-2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 103950968
N-[1-(6-amino-2-methylheptanoyl)piperidin-3-yl]acetamide
CID 65292227
2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 62372858
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 114797469
3,3,3-trifluoro-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103310164
propan-2-yl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 62356607

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one?
The IUPAC name of 6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one (CID 107217037) is 6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one.
What is the SMILES notation for 6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one?
The canonical SMILES for 6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one is CC(N)CCCC(C)C(=O)N1CCCC(CCO)C1.
What is the InChIKey of 6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one?
The InChIKey is ZECFVBWEXIPTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(5-3-6-13(2)16)15(19)17-9-4-7-14(11-17)8-10-18/h12-14,18H,3-11,16H2,1-2H3.
What are the key properties of 6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one?
6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one has a molecular weight of 270.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one is sourced from PubChem (CID 107217037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).