1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone

C14H21NO — CID 123827345

IUPAC1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone
SMILESCC(=O)C1CCC(C2=CCCC=C2)N(C)C1
InChIInChI=1S/C14H21NO/c1-11(16)13-8-9-14(15(2)10-13)12-6-4-3-5-7-12/h4,6-7,13-14H,3,5,8-10H2,1-2H3
InChIKeyKTVMDEZCWCXNBS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds2

About 1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone

1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone (PubChem CID 123827345) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone
PubChem CID123827345
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone
SMILESCC(=O)C1CCC(C2=CCCC=C2)N(C)C1
InChIInChI=1S/C14H21NO/c1-11(16)13-8-9-14(15(2)10-13)12-6-4-3-5-7-12/h4,6-7,13-14H,3,5,8-10H2,1-2H3
InChIKeyKTVMDEZCWCXNBS-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4,4a,5,6,6a,10a-Octahydrobenzo[f]quinolizin-3-one
CID 54543774
(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one
CID 70852566
(4aR,10aR)-1-propyl-2,3,4,4a,5,9,10,10a-octahydrobenzo[g]quinolin-6-one
CID 177691951
(4aR,8aS)-3-methyl-1-propan-2-yl-4a,5,6,8a-tetrahydroquinoline-2,4-dione
CID 134991833
(1R,2S,4R,5S)-2,8-dimethyl-4-propyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138967016
1-(6-Methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one
CID 12036865
6-Hexyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide
CID 20262526
4-Methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one
CID 54438579
2,7,9-Trimethyl-1,3,4,4a,5,10-hexahydrobenzo[h]isoquinolin-6-one
CID 57275100
sodium;1-[(1R,5S)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one;hydroxide
CID 58325814
10-Ethyl-4a,8a,9a,10a-tetrahydroacridin-9-one
CID 66598494
Cyclohex-3-en-1-yl-[4-(dimethylamino)cyclohexen-1-yl]methanone
CID 68199903

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone (CID 123827345) is 1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone is CC(=O)C1CCC(C2=CCCC=C2)N(C)C1.
What is the InChIKey of 1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone?
The InChIKey is KTVMDEZCWCXNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(16)13-8-9-14(15(2)10-13)12-6-4-3-5-7-12/h4,6-7,13-14H,3,5,8-10H2,1-2H3.
What are the key properties of 1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone?
1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)ethanone is sourced from PubChem (CID 123827345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).