3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one

C11H22N2O2 — CID 64683995

IUPAC3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,12)6-10(15)13-5-3-4-9(7-13)8-14/h9,14H,3-8,12H2,1-2H3
InChIKeyYXXFQGLFVSBRSR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds3

About 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one

3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 64683995) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID64683995
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,12)6-10(15)13-5-3-4-9(7-13)8-14/h9,14H,3-8,12H2,1-2H3
InChIKeyYXXFQGLFVSBRSR-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422447
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631
1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 63766130
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 110903001
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 60848400
3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
1-[3-(bromomethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 80660591

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one (CID 64683995) is 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one is CC(C)(N)CC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is YXXFQGLFVSBRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,12)6-10(15)13-5-3-4-9(7-13)8-14/h9,14H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 64683995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).