4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine

C11H18FN — CID 135265902

IUPAC4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine
SMILESC=C(/C(C)=C/C)N1CCC(F)CC1
InChIInChI=1S/C11H18FN/c1-4-9(2)10(3)13-7-5-11(12)6-8-13/h4,11H,3,5-8H2,1-2H3/b9-4+
InChIKeyWFERUAMNTRHPNF-RUDMXATFSA-N
MW183.27 g/mol
LogP2.90
Rot. Bonds2

About 4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine

4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine (PubChem CID 135265902) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine
PubChem CID135265902
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine
SMILESC=C(/C(C)=C/C)N1CCC(F)CC1
InChIInChI=1S/C11H18FN/c1-4-9(2)10(3)13-7-5-11(12)6-8-13/h4,11H,3,5-8H2,1-2H3/b9-4+
InChIKeyWFERUAMNTRHPNF-RUDMXATFSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
4-Fluoro-1-(3-methylbut-1-en-2-yl)piperidine
CID 118185526
1-(2-Ethenylbut-2-enyl)-3,3-difluoropiperidine
CID 123339362
1-(3-Fluoro-2-propan-2-ylidenehex-3-enyl)piperidine
CID 123561041
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine
CID 134549692
(3S)-1-[(2E,4E)-4-fluoro-6-methylhepta-2,4,6-trien-3-yl]-3-methylpiperidine
CID 142294943
1-[1-(6-Fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
CID 142581038
(2E)-6-fluoro-2-methyl-7-piperidin-1-ylocta-2,5,7-trien-1-amine
CID 144045723
1-[(E,2Z)-2-ethylidene-3-fluorohept-3-enyl]piperidine
CID 144347517
(3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine
CID 144607830
(3R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-fluoropiperidine
CID 144607840

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine?
The IUPAC name of 4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine (CID 135265902) is 4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine.
What is the SMILES notation for 4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine?
The canonical SMILES for 4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine is C=C(/C(C)=C/C)N1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine?
The InChIKey is WFERUAMNTRHPNF-RUDMXATFSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-9(2)10(3)13-7-5-11(12)6-8-13/h4,11H,3,5-8H2,1-2H3/b9-4+.
What are the key properties of 4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine?
4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine has a molecular weight of 183.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine is sourced from PubChem (CID 135265902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).