1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine

C15H20FN — CID 142581038

IUPAC1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
SMILESC=C=C(C1=C(C)C=CCC1F)N1CCCCC1
InChIInChI=1S/C15H20FN/c1-3-14(17-10-5-4-6-11-17)15-12(2)8-7-9-13(15)16/h7-8,13H,1,4-6,9-11H2,2H3
InChIKeyGYLSBGYTCUFDAT-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.76
Rot. Bonds2

About 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine

1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine (PubChem CID 142581038) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine.

Molecular Properties

Compound Name1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
PubChem CID142581038
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
SMILESC=C=C(C1=C(C)C=CCC1F)N1CCCCC1
InChIInChI=1S/C15H20FN/c1-3-14(17-10-5-4-6-11-17)15-12(2)8-7-9-13(15)16/h7-8,13H,1,4-6,9-11H2,2H3
InChIKeyGYLSBGYTCUFDAT-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Cyclopenta-2,4-dien-1-ylidenepropyl)piperidine
CID 134982821
Tetrahydrobenzo[a]quinolizine
CID 129821630
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperidine
CID 22637767
1-(1,6-Difluorocyclohexa-2,4-dien-1-yl)piperidine
CID 23123419
8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
CID 67020339
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
10-Ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole
CID 90910284
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-[(2-Fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine
CID 123396512

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine?
The IUPAC name of 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine (CID 142581038) is 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine.
What is the SMILES notation for 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine?
The canonical SMILES for 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine is C=C=C(C1=C(C)C=CCC1F)N1CCCCC1.
What is the InChIKey of 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine?
The InChIKey is GYLSBGYTCUFDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-3-14(17-10-5-4-6-11-17)15-12(2)8-7-9-13(15)16/h7-8,13H,1,4-6,9-11H2,2H3.
What are the key properties of 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine?
1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine has a molecular weight of 233.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine is sourced from PubChem (CID 142581038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).