6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one

C14H21NO — CID 71268512

IUPAC6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1CCCN1CCCCC1
InChIInChI=1S/C14H21NO/c16-14-9-3-2-7-13(14)8-6-12-15-10-4-1-5-11-15/h2-3,7,9,13H,1,4-6,8,10-12H2
InChIKeyKQDOTIVCXAJGSA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds4

About 6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one

6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one (PubChem CID 71268512) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one
PubChem CID71268512
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1CCCN1CCCCC1
InChIInChI=1S/C14H21NO/c16-14-9-3-2-7-13(14)8-6-12-15-10-4-1-5-11-15/h2-3,7,9,13H,1,4-6,8,10-12H2
InChIKeyKQDOTIVCXAJGSA-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one (CID 71268512) is 6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one is O=C1C=CC=CC1CCCN1CCCCC1.
What is the InChIKey of 6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one?
The InChIKey is KQDOTIVCXAJGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-14-9-3-2-7-13(14)8-6-12-15-10-4-1-5-11-15/h2-3,7,9,13H,1,4-6,8,10-12H2.
What are the key properties of 6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one?
6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 71268512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).