(2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one

C16H23F2NO — CID 170274373

IUPAC(2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one
SMILESC/C=C\C=C(C(=O)N1CCC(F)(F)CC1)/C(C)=C/CC
InChIInChI=1S/C16H23F2NO/c1-4-6-8-14(13(3)7-5-2)15(20)19-11-9-16(17,18)10-12-19/h4,6-8H,5,9-12H2,1-3H3/b6-4-,13-7+,14-8+
InChIKeyHLWFLONWBAYBNC-ULQNLPGHSA-N
MW283.36 g/mol
LogP4.10
Rot. Bonds4

About (2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one

(2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one (PubChem CID 170274373) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is (2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one
PubChem CID170274373
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name(2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one
SMILESC/C=C\C=C(C(=O)N1CCC(F)(F)CC1)/C(C)=C/CC
InChIInChI=1S/C16H23F2NO/c1-4-6-8-14(13(3)7-5-2)15(20)19-11-9-16(17,18)10-12-19/h4,6-8H,5,9-12H2,1-3H3/b6-4-,13-7+,14-8+
InChIKeyHLWFLONWBAYBNC-ULQNLPGHSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one
CID 44561415
(2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one
CID 11403481
(3E)-1-methyl-3-(2,2,2-trifluoroethylidene)piperidin-2-one
CID 10774144
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
(4,4-Difluoropiperidin-1-yl)-(4-methylcyclohexa-1,5-dien-1-yl)methanone
CID 70224442
N-iodo-N-(3,3,3-trifluoropropyl)cyclohexa-1,3-diene-1-carboxamide
CID 118271932
1-(4-Ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone
CID 123837083
(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-[4-[5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidin-1-yl]methanone
CID 126749050
(6-Fluoro-2-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone
CID 129084394
(2Z)-2-[(E)-1-fluoroprop-1-enyl]-3-methyl-1-piperidin-1-ylhexa-2,5-dien-1-one
CID 129084636
(E)-1-[4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]piperidin-1-yl]but-2-en-1-one
CID 130216716
(E,2Z)-2-ethylidene-3-fluoro-N-(1-methylpiperidin-4-yl)-N-propan-2-ylpent-3-enamide
CID 132078819

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one (CID 170274373) is (2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one is C/C=C\C=C(C(=O)N1CCC(F)(F)CC1)/C(C)=C/CC.
What is the InChIKey of (2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one?
The InChIKey is HLWFLONWBAYBNC-ULQNLPGHSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-4-6-8-14(13(3)7-5-2)15(20)19-11-9-16(17,18)10-12-19/h4,6-8H,5,9-12H2,1-3H3/b6-4-,13-7+,14-8+.
What are the key properties of (2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one?
(2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one has a molecular weight of 283.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-(4,4-difluoropiperidin-1-yl)-2-[(E)-pent-2-en-2-yl]hexa-2,4-dien-1-one is sourced from PubChem (CID 170274373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).