6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one

C13H25NO2 — CID 116563387

IUPAC6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one
SMILESCOCCC(C)C(=O)CCC1CCNCC1
InChIInChI=1S/C13H25NO2/c1-11(7-10-16-2)13(15)4-3-12-5-8-14-9-6-12/h11-12,14H,3-10H2,1-2H3
InChIKeyWKXFPVJDRZYCDR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.01
Rot. Bonds7

About 6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one

6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one (PubChem CID 116563387) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one.

Molecular Properties

Compound Name6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one
PubChem CID116563387
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one
SMILESCOCCC(C)C(=O)CCC1CCNCC1
InChIInChI=1S/C13H25NO2/c1-11(7-10-16-2)13(15)4-3-12-5-8-14-9-6-12/h11-12,14H,3-10H2,1-2H3
InChIKeyWKXFPVJDRZYCDR-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 7-piperidin-4-ylheptanoate
CID 10800166
Ethyl 6-(4-piperidyl)hexanoate
CID 17914210
Methyl 5-(4-piperidyl)pentanoate
CID 19781432
3-(4-Butanoylpiperidin-3-yl)propyl formate
CID 53720575
Ethyl 5-(piperidin-4-yl)pentanoate
CID 53725767
4-(Oxolan-3-yl)-1-piperidin-4-ylbutan-1-one
CID 68853577
3-(Oxolan-3-yl)-1-piperidin-4-ylpropan-1-one
CID 68853885
1-Piperidin-4-yloctan-3-one
CID 69568686
Methyl 2-(piperidin-4-ylmethyl)pentanoate
CID 69907668
Ethyl 7-piperidin-4-ylheptanoate;hydrochloride
CID 70087652
4-(Ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one
CID 71154697
2-Methyl-6-(oxan-4-yl)piperidin-4-one
CID 82398775

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one?
The IUPAC name of 6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one (CID 116563387) is 6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one.
What is the SMILES notation for 6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one?
The canonical SMILES for 6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one is COCCC(C)C(=O)CCC1CCNCC1.
What is the InChIKey of 6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one?
The InChIKey is WKXFPVJDRZYCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(7-10-16-2)13(15)4-3-12-5-8-14-9-6-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one?
6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one has a molecular weight of 227.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one is sourced from PubChem (CID 116563387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).