(Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one

C15H23NO — CID 134868186

IUPAC(Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one
SMILESCC(=O)/C=C\C1=C(N2CCCCC2)CCCC1
InChIInChI=1S/C15H23NO/c1-13(17)9-10-14-7-3-4-8-15(14)16-11-5-2-6-12-16/h9-10H,2-8,11-12H2,1H3/b10-9-
InChIKeyWCXRWYITYWGLRL-KTKRTIGZSA-N
MW233.35 g/mol
LogP3.45
Rot. Bonds3

About (Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one

(Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one (PubChem CID 134868186) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one
PubChem CID134868186
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one
SMILESCC(=O)/C=C\C1=C(N2CCCCC2)CCCC1
InChIInChI=1S/C15H23NO/c1-13(17)9-10-14-7-3-4-8-15(14)16-11-5-2-6-12-16/h9-10H,2-8,11-12H2,1H3/b10-9-
InChIKeyWCXRWYITYWGLRL-KTKRTIGZSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one
CID 134868277
(Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one
CID 134868292
(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one
CID 134891945
1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
CID 135038619
2-Fluoro-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one
CID 20262491
6-Fluoro-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one
CID 20262546
1-(6,7,8,9-tetrahydro-4H-quinolizin-1-yl)ethanone
CID 67020372
1-Cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one
CID 87786341
4-(Piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one
CID 89287872
1-(2-Methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one
CID 91107048
1-Cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine
CID 143089571
1-[(2-Ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen
CID 143925702

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one?
The IUPAC name of (Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one (CID 134868186) is (Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one.
What is the SMILES notation for (Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one?
The canonical SMILES for (Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one is CC(=O)/C=C\C1=C(N2CCCCC2)CCCC1.
What is the InChIKey of (Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one?
The InChIKey is WCXRWYITYWGLRL-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(17)9-10-14-7-3-4-8-15(14)16-11-5-2-6-12-16/h9-10H,2-8,11-12H2,1H3/b10-9-.
What are the key properties of (Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one?
(Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one is sourced from PubChem (CID 134868186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).