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

C14H21NO — CID 142412395

IUPAC2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone
SMILESCN1CCCC(C(=O)CC2=CCCC=C2)C1
InChIInChI=1S/C14H21NO/c1-15-9-5-8-13(11-15)14(16)10-12-6-3-2-4-7-12/h3,6-7,13H,2,4-5,8-11H2,1H3
InChIKeySNEKNARECTYGND-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone

2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone (PubChem CID 142412395) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone
PubChem CID142412395
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone
SMILESCN1CCCC(C(=O)CC2=CCCC=C2)C1
InChIInChI=1S/C14H21NO/c1-15-9-5-8-13(11-15)14(16)10-12-6-3-2-4-7-12/h3,6-7,13H,2,4-5,8-11H2,1H3
InChIKeySNEKNARECTYGND-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone (CID 142412395) is 2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone is CN1CCCC(C(=O)CC2=CCCC=C2)C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone?
The InChIKey is SNEKNARECTYGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15-9-5-8-13(11-15)14(16)10-12-6-3-2-4-7-12/h3,6-7,13H,2,4-5,8-11H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone?
2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-1-(1-methylpiperidin-3-yl)ethanone is sourced from PubChem (CID 142412395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).