1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one

C14H23NO — CID 154845883

IUPAC1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one
SMILESCC1CN(CC2C=CCCCC2)CCC1=O
InChIInChI=1S/C14H23NO/c1-12-10-15(9-8-14(12)16)11-13-6-4-2-3-5-7-13/h4,6,12-13H,2-3,5,7-11H2,1H3
InChIKeyHVQFYYJZUXOWQB-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.64
Rot. Bonds2

About 1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one

1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one (PubChem CID 154845883) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one
PubChem CID154845883
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one
SMILESCC1CN(CC2C=CCCCC2)CCC1=O
InChIInChI=1S/C14H23NO/c1-12-10-15(9-8-14(12)16)11-13-6-4-2-3-5-7-13/h4,6,12-13H,2-3,5,7-11H2,1H3
InChIKeyHVQFYYJZUXOWQB-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-(Piperidin-1-ylmethyl)cyclohept-2-en-1-one
CID 134855119
(1R,2S,4R,5S)-1,2,4,5,8-pentamethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138965399
(1R,2S,4R,5S)-2,8-dimethyl-4-propyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138967016
(1R,4R,5S)-2,2,4,8-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138967017
1-[(E)-dec-4-enyl]piperidin-4-one
CID 102028425
3-Ethenyl-1-methylpiperidin-4-one
CID 54458985
1-Pentyl-3-prop-2-enylpiperidin-4-one
CID 68718418
10,10-Dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one
CID 88985010
(E)-1-(dimethylamino)-6-(4-methylcyclohexyl)hex-5-en-3-one
CID 117755351
1-[(2-Methylcyclohex-3-en-1-yl)methyl]piperidin-4-one
CID 123759959
1-[(2,2,6,6-Tetradeuteriocyclohex-3-en-1-yl)methyl]piperidin-4-one
CID 140843858
4-Cyclobut-2-en-1-yl-1-piperidin-1-ylhept-6-en-3-one
CID 142186988

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one (CID 154845883) is 1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one is CC1CN(CC2C=CCCCC2)CCC1=O.
What is the InChIKey of 1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one?
The InChIKey is HVQFYYJZUXOWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-10-15(9-8-14(12)16)11-13-6-4-2-3-5-7-13/h4,6,12-13H,2-3,5,7-11H2,1H3.
What are the key properties of 1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one?
1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one has a molecular weight of 221.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohept-2-en-1-ylmethyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 154845883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).