1-(4-methylpiperidin-1-yl)hexane-1,5-dione

C12H21NO2 — CID 156884864

IUPAC1-(4-methylpiperidin-1-yl)hexane-1,5-dione
SMILESCC(=O)CCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H21NO2/c1-10-6-8-13(9-7-10)12(15)5-3-4-11(2)14/h10H,3-9H2,1-2H3
InChIKeyROWPLGPHGIRXFP-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.00
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)hexane-1,5-dione

1-(4-methylpiperidin-1-yl)hexane-1,5-dione (PubChem CID 156884864) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)hexane-1,5-dione.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)hexane-1,5-dione
PubChem CID156884864
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(4-methylpiperidin-1-yl)hexane-1,5-dione
SMILESCC(=O)CCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H21NO2/c1-10-6-8-13(9-7-10)12(15)5-3-4-11(2)14/h10H,3-9H2,1-2H3
InChIKeyROWPLGPHGIRXFP-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide
CID 145076984
4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
N-methyl-N-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]acetamide
CID 170620733
8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one
CID 143122837
5-chloro-1-(4-methylazepan-1-yl)pentan-1-one
CID 63623010
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
CID 896367
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)hexane-1,5-dione?
The IUPAC name of 1-(4-methylpiperidin-1-yl)hexane-1,5-dione (CID 156884864) is 1-(4-methylpiperidin-1-yl)hexane-1,5-dione.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)hexane-1,5-dione?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)hexane-1,5-dione is CC(=O)CCCC(=O)N1CCC(C)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)hexane-1,5-dione?
The InChIKey is ROWPLGPHGIRXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-6-8-13(9-7-10)12(15)5-3-4-11(2)14/h10H,3-9H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)hexane-1,5-dione?
1-(4-methylpiperidin-1-yl)hexane-1,5-dione has a molecular weight of 211.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)hexane-1,5-dione is sourced from PubChem (CID 156884864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).