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

C17H27NO — CID 134868292

IUPAC(Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one
SMILESCC(C)C(=O)/C=C\C1=C(N2CCCCC2)CCCC1
InChIInChI=1S/C17H27NO/c1-14(2)17(19)11-10-15-8-4-5-9-16(15)18-12-6-3-7-13-18/h10-11,14H,3-9,12-13H2,1-2H3/b11-10-
InChIKeyDQICMKKMQIBAEC-KHPPLWFESA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds4

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

(Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one (PubChem CID 134868292) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one.

Molecular Properties

Compound Name(Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one
PubChem CID134868292
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one
SMILESCC(C)C(=O)/C=C\C1=C(N2CCCCC2)CCCC1
InChIInChI=1S/C17H27NO/c1-14(2)17(19)11-10-15-8-4-5-9-16(15)18-12-6-3-7-13-18/h10-11,14H,3-9,12-13H2,1-2H3/b11-10-
InChIKeyDQICMKKMQIBAEC-KHPPLWFESA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
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)-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
6-Methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide
CID 20262492
6-Ethyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide
CID 20262495
1-(3,4,4-Trimethyl-2-piperidin-1-ylcyclohexa-1,5-dien-1-yl)propan-2-one
CID 70455594
(3E)-3-[(Z)-but-2-enylidene]-1-butyl-2-methylidene-4a,5,6,8a-tetrahydroquinolin-4-one
CID 89196939
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
(4-Methylcyclohexa-1,5-dien-1-yl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 123169995

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one?
The IUPAC name of (Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one (CID 134868292) is (Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one.
What is the SMILES notation for (Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one?
The canonical SMILES for (Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one is CC(C)C(=O)/C=C\C1=C(N2CCCCC2)CCCC1.
What is the InChIKey of (Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one?
The InChIKey is DQICMKKMQIBAEC-KHPPLWFESA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)17(19)11-10-15-8-4-5-9-16(15)18-12-6-3-7-13-18/h10-11,14H,3-9,12-13H2,1-2H3/b11-10-.
What are the key properties of (Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one?
(Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one has a molecular weight of 261.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-1-(2-piperidin-1-ylcyclohexen-1-yl)pent-1-en-3-one is sourced from PubChem (CID 134868292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).