3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine

C12H18FNO — CID 143089574

IUPAC3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
SMILESFC1=CC(OCC2CCCNC2)=CCC1
InChIInChI=1S/C12H18FNO/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h5,7,10,14H,1-4,6,8-9H2
InChIKeyJVPZYKFNBSTZDS-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.53
Rot. Bonds3

About 3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine

3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine (PubChem CID 143089574) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
PubChem CID143089574
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
SMILESFC1=CC(OCC2CCCNC2)=CCC1
InChIInChI=1S/C12H18FNO/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h5,7,10,14H,1-4,6,8-9H2
InChIKeyJVPZYKFNBSTZDS-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
CID 164543507
3-[(6-Fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine
CID 173184317
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropiperidine
CID 102648241
4-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]piperidine
CID 102648244
4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
CID 143759830
3-[[6-Methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
CID 162598803
3-[[4-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
CID 162598812
4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine
CID 170614898
3-(2H-pyran-2-yl)piperidine
CID 140987781
N-[[5-(piperidin-3-ylmethoxy)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine
CID 142041414
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 142125077
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen
CID 142125212

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine?
The IUPAC name of 3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine (CID 143089574) is 3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine.
What is the SMILES notation for 3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine?
The canonical SMILES for 3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine is FC1=CC(OCC2CCCNC2)=CCC1.
What is the InChIKey of 3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine?
The InChIKey is JVPZYKFNBSTZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h5,7,10,14H,1-4,6,8-9H2.
What are the key properties of 3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine?
3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine has a molecular weight of 211.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine is sourced from PubChem (CID 143089574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).