1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one

C12H23NO2 — CID 114501416

IUPAC1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC1CN(C(=O)CC(C)(C)C)CCC1O
InChIInChI=1S/C12H23NO2/c1-9-8-13(6-5-10(9)14)11(15)7-12(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyMPCPTFCJZAMWJB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.65
Rot. Bonds1

About 1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one

1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 114501416) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID114501416
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC1CN(C(=O)CC(C)(C)C)CCC1O
InChIInChI=1S/C12H23NO2/c1-9-8-13(6-5-10(9)14)11(15)7-12(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyMPCPTFCJZAMWJB-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-sulfanylethanone
CID 114683823
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
CID 155707609
3-chloro-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380940
ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 153375524
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114679546
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 114679928

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one (CID 114501416) is 1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one is CC1CN(C(=O)CC(C)(C)C)CCC1O.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is MPCPTFCJZAMWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-8-13(6-5-10(9)14)11(15)7-12(2,3)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 114501416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).