1-cycloheptyl-4,4-dimethylpiperidin-3-one

C14H25NO — CID 117025164

IUPAC1-cycloheptyl-4,4-dimethylpiperidin-3-one
SMILESCC1(C)CCN(C2CCCCCC2)CC1=O
InChIInChI=1S/C14H25NO/c1-14(2)9-10-15(11-13(14)16)12-7-5-3-4-6-8-12/h12H,3-11H2,1-2H3
InChIKeyBZDTWOJRZJTMTE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds1

About 1-cycloheptyl-4,4-dimethylpiperidin-3-one

1-cycloheptyl-4,4-dimethylpiperidin-3-one (PubChem CID 117025164) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cycloheptyl-4,4-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-cycloheptyl-4,4-dimethylpiperidin-3-one
PubChem CID117025164
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cycloheptyl-4,4-dimethylpiperidin-3-one
SMILESCC1(C)CCN(C2CCCCCC2)CC1=O
InChIInChI=1S/C14H25NO/c1-14(2)9-10-15(11-13(14)16)12-7-5-3-4-6-8-12/h12H,3-11H2,1-2H3
InChIKeyBZDTWOJRZJTMTE-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-methylsulfonylpiperidin-3-one
CID 115269922
1-cyclodecylpyrrolidin-3-one
CID 138676614
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
(1-cyclopentyl-4-methylpiperidin-4-yl)methanol
CID 83915889
2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid
CID 117013254
4-cyclohexyl-6,6-dimethylpiperazin-2-one
CID 117023924
1-cyclobutylpyrrolidin-3-one
CID 62416933
1-cyclopentyl-4-methylazepan-4-ol
CID 107408390
5-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-ol
CID 79856703
1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole
CID 170235276
4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one
CID 117025156
1-cyclopropyl-3,3-dimethylpiperidin-4-one
CID 117024261

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4,4-dimethylpiperidin-3-one?
The IUPAC name of 1-cycloheptyl-4,4-dimethylpiperidin-3-one (CID 117025164) is 1-cycloheptyl-4,4-dimethylpiperidin-3-one.
What is the SMILES notation for 1-cycloheptyl-4,4-dimethylpiperidin-3-one?
The canonical SMILES for 1-cycloheptyl-4,4-dimethylpiperidin-3-one is CC1(C)CCN(C2CCCCCC2)CC1=O.
What is the InChIKey of 1-cycloheptyl-4,4-dimethylpiperidin-3-one?
The InChIKey is BZDTWOJRZJTMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2)9-10-15(11-13(14)16)12-7-5-3-4-6-8-12/h12H,3-11H2,1-2H3.
What are the key properties of 1-cycloheptyl-4,4-dimethylpiperidin-3-one?
1-cycloheptyl-4,4-dimethylpiperidin-3-one has a molecular weight of 223.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4,4-dimethylpiperidin-3-one is sourced from PubChem (CID 117025164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).