1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine

C21H37FN2 — CID 143280181

IUPAC1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine
SMILESC=C(C)/C=C\C(=C\F)CN1CCC(N(CCC)C(CC)CC)CC1
InChIInChI=1S/C21H37FN2/c1-6-13-24(20(7-2)8-3)21-11-14-23(15-12-21)17-19(16-22)10-9-18(4)5/h9-10,16,20-21H,4,6-8,11-15,17H2,1-3,5H3/b10-9-,19-16-
InChIKeyFLQNEGYWEAELLA-JSKOQASCSA-N
MW336.54 g/mol
LogP5.34
Rot. Bonds10

About 1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine

1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine (PubChem CID 143280181) has the molecular formula C21H37FN2 and a molecular weight of 336.54 g/mol. Its IUPAC name is 1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine
PubChem CID143280181
Molecular FormulaC21H37FN2
Molecular Weight336.54 g/mol
Exact Mass336.29
IUPAC Name1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine
SMILESC=C(C)/C=C\C(=C\F)CN1CCC(N(CCC)C(CC)CC)CC1
InChIInChI=1S/C21H37FN2/c1-6-13-24(20(7-2)8-3)21-11-14-23(15-12-21)17-19(16-22)10-9-18(4)5/h9-10,16,20-21H,4,6-8,11-15,17H2,1-3,5H3/b10-9-,19-16-
InChIKeyFLQNEGYWEAELLA-JSKOQASCSA-N
XLogP5.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-Ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine
CID 123501782
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304
1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine
CID 134549692
1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine
CID 135225542
N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine
CID 139353510
1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine
CID 143143754
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
(3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine
CID 144607830
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-N,1-dimethylpiperidin-4-amine
CID 144962869
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-1-methylpiperidin-4-amine
CID 145515573
N-[(2E)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]-1-methylpiperidin-4-amine
CID 145520189
1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 146247180

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine?
The IUPAC name of 1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine (CID 143280181) is 1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine is C=C(C)/C=C\C(=C\F)CN1CCC(N(CCC)C(CC)CC)CC1.
What is the InChIKey of 1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine?
The InChIKey is FLQNEGYWEAELLA-JSKOQASCSA-N. The full InChI is InChI=1S/C21H37FN2/c1-6-13-24(20(7-2)8-3)21-11-14-23(15-12-21)17-19(16-22)10-9-18(4)5/h9-10,16,20-21H,4,6-8,11-15,17H2,1-3,5H3/b10-9-,19-16-.
What are the key properties of 1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine?
1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine has a molecular weight of 336.54 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,3Z)-2-(fluoromethylidene)-5-methylhexa-3,5-dienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine is sourced from PubChem (CID 143280181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).