4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine

C19H26FNO — CID 123359111

IUPAC4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine
SMILESCC1CC(OC(C2=CC=CCC2)C2CCNCC2)=CC=C1F
InChIInChI=1S/C19H26FNO/c1-14-13-17(7-8-18(14)20)22-19(15-5-3-2-4-6-15)16-9-11-21-12-10-16/h2-3,5,7-8,14,16,19,21H,4,6,9-13H2,1H3
InChIKeyMEKRWPGESMPDCC-UHFFFAOYSA-N
MW303.42 g/mol
LogP4.42
Rot. Bonds4

About 4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine

4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine (PubChem CID 123359111) has the molecular formula C19H26FNO and a molecular weight of 303.42 g/mol. Its IUPAC name is 4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine
PubChem CID123359111
Molecular FormulaC19H26FNO
Molecular Weight303.42 g/mol
Exact Mass303.20
IUPAC Name4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine
SMILESCC1CC(OC(C2=CC=CCC2)C2CCNCC2)=CC=C1F
InChIInChI=1S/C19H26FNO/c1-14-13-17(7-8-18(14)20)22-19(15-5-3-2-4-6-15)16-9-11-21-12-10-16/h2-3,5,7-8,14,16,19,21H,4,6,9-13H2,1H3
InChIKeyMEKRWPGESMPDCC-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine?
The IUPAC name of 4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine (CID 123359111) is 4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine.
What is the SMILES notation for 4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine?
The canonical SMILES for 4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine is CC1CC(OC(C2=CC=CCC2)C2CCNCC2)=CC=C1F.
What is the InChIKey of 4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine?
The InChIKey is MEKRWPGESMPDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO/c1-14-13-17(7-8-18(14)20)22-19(15-5-3-2-4-6-15)16-9-11-21-12-10-16/h2-3,5,7-8,14,16,19,21H,4,6,9-13H2,1H3.
What are the key properties of 4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine?
4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine has a molecular weight of 303.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexa-1,3-dien-1-yl-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine is sourced from PubChem (CID 123359111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).