1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine

C13H20FN — CID 123396512

IUPAC1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine
SMILESFC1=C(CN2CCCCC2)CCCC=C1
InChIInChI=1S/C13H20FN/c14-13-8-4-1-3-7-12(13)11-15-9-5-2-6-10-15/h4,8H,1-3,5-7,9-11H2
InChIKeyWOKWIJINBNWBGA-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.44
Rot. Bonds2

About 1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine

1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine (PubChem CID 123396512) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine
PubChem CID123396512
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine
SMILESFC1=C(CN2CCCCC2)CCCC=C1
InChIInChI=1S/C13H20FN/c14-13-8-4-1-3-7-12(13)11-15-9-5-2-6-10-15/h4,8H,1-3,5-7,9-11H2
InChIKeyWOKWIJINBNWBGA-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,7-dimethyl-2,7-octadienyl)piperidine
CID 86023806
1-fluoro-N-hexyl-N-methylcyclohexa-2,4-dien-1-amine
CID 17948373
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperidine
CID 22637767
1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine
CID 23123430
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244
1-[(6-Fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 123163019
1-[2-(Fluoromethyl)hepta-2,4,6-trienyl]piperidine
CID 123241859
1-(3-Fluoro-2-propan-2-ylidenehex-3-enyl)piperidine
CID 123561041
4-(2-Fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine
CID 130238797

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine?
The IUPAC name of 1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine (CID 123396512) is 1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine is FC1=C(CN2CCCCC2)CCCC=C1.
What is the InChIKey of 1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine?
The InChIKey is WOKWIJINBNWBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c14-13-8-4-1-3-7-12(13)11-15-9-5-2-6-10-15/h4,8H,1-3,5-7,9-11H2.
What are the key properties of 1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine?
1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine has a molecular weight of 209.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine is sourced from PubChem (CID 123396512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).