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

C16H25NO — CID 134891945

IUPAC(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one
SMILESCCC(=O)/C=C\C1=C(N2CCCCC2)CCCC1
InChIInChI=1S/C16H25NO/c1-2-15(18)11-10-14-8-4-5-9-16(14)17-12-6-3-7-13-17/h10-11H,2-9,12-13H2,1H3/b11-10-
InChIKeyPTCKAAIKNMNLHS-KHPPLWFESA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds4

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

(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one (PubChem CID 134891945) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one
PubChem CID134891945
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one
SMILESCCC(=O)/C=C\C1=C(N2CCCCC2)CCCC1
InChIInChI=1S/C16H25NO/c1-2-15(18)11-10-14-8-4-5-9-16(14)17-12-6-3-7-13-17/h10-11H,2-9,12-13H2,1H3/b11-10-
InChIKeyPTCKAAIKNMNLHS-KHPPLWFESA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
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)-4-(2-piperidin-1-ylcyclohexen-1-yl)but-3-en-2-one
CID 134868186
(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
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
2-Fluoro-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide
CID 20262490
6-Methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide
CID 20262492
6-Fluoro-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide
CID 20262545
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-[5-(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1-octylpyrrol-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 117849818

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one?
The IUPAC name of (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one (CID 134891945) is (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one.
What is the SMILES notation for (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one?
The canonical SMILES for (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one is CCC(=O)/C=C\C1=C(N2CCCCC2)CCCC1.
What is the InChIKey of (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one?
The InChIKey is PTCKAAIKNMNLHS-KHPPLWFESA-N. The full InChI is InChI=1S/C16H25NO/c1-2-15(18)11-10-14-8-4-5-9-16(14)17-12-6-3-7-13-17/h10-11H,2-9,12-13H2,1H3/b11-10-.
What are the key properties of (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one?
(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one has a molecular weight of 247.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one is sourced from PubChem (CID 134891945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).