6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one

C14H21NO — CID 71268513

IUPAC6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one
SMILESCCC(C1C=CC=CC1=O)N1CCCCC1
InChIInChI=1S/C14H21NO/c1-2-13(15-10-6-3-7-11-15)12-8-4-5-9-14(12)16/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3
InChIKeyYQWXUONIPGCORW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds3

About 6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one

6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one (PubChem CID 71268513) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one
PubChem CID71268513
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one
SMILESCCC(C1C=CC=CC1=O)N1CCCCC1
InChIInChI=1S/C14H21NO/c1-2-13(15-10-6-3-7-11-15)12-8-4-5-9-14(12)16/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3
InChIKeyYQWXUONIPGCORW-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 6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one (CID 71268513) is 6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one is CCC(C1C=CC=CC1=O)N1CCCCC1.
What is the InChIKey of 6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one?
The InChIKey is YQWXUONIPGCORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-13(15-10-6-3-7-11-15)12-8-4-5-9-14(12)16/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3.
What are the key properties of 6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one?
6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one 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 6-(1-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 71268513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).