2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one

C13H23NO2 — CID 102966895

IUPAC2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCOC1CCCN(CC2CCCCC2=O)C1
InChIInChI=1S/C13H23NO2/c1-16-12-6-4-8-14(10-12)9-11-5-2-3-7-13(11)15/h11-12H,2-10H2,1H3
InChIKeyKGQDPIZPCSTCGY-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds3

About 2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one

2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one (PubChem CID 102966895) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one
PubChem CID102966895
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCOC1CCCN(CC2CCCCC2=O)C1
InChIInChI=1S/C13H23NO2/c1-16-12-6-4-8-14(10-12)9-11-5-2-3-7-13(11)15/h11-12H,2-10H2,1H3
InChIKeyKGQDPIZPCSTCGY-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one
CID 62613844
2-(azetidin-1-ylmethyl)cycloheptan-1-one
CID 130548358
2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
CID 63624486
2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 62615095
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 63007742
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one
CID 79945871
2-(1,2,5-dithiazepan-5-ylmethyl)cyclohexan-1-one
CID 131154504
2-[(4-propan-2-ylpiperidin-1-yl)methyl]cycloheptan-1-one
CID 103502471
2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 55133325
2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride
CID 134117838
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 62617026

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one (CID 102966895) is 2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one is COC1CCCN(CC2CCCCC2=O)C1.
What is the InChIKey of 2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is KGQDPIZPCSTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-16-12-6-4-8-14(10-12)9-11-5-2-3-7-13(11)15/h11-12H,2-10H2,1H3.
What are the key properties of 2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one?
2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 102966895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).