4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine

C12H18FN — CID 153361056

IUPAC4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
SMILESFC1=C(CC2CCNCC2)CCC=C1
InChIInChI=1S/C12H18FN/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h2,4,10,14H,1,3,5-9H2
InChIKeyFIFFRQMEAHVHDQ-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.95
Rot. Bonds2

About 4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine

4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine (PubChem CID 153361056) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
PubChem CID153361056
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
SMILESFC1=C(CC2CCNCC2)CCC=C1
InChIInChI=1S/C12H18FN/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h2,4,10,14H,1,3,5-9H2
InChIKeyFIFFRQMEAHVHDQ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine?
The IUPAC name of 4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine (CID 153361056) is 4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine is FC1=C(CC2CCNCC2)CCC=C1.
What is the InChIKey of 4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine?
The InChIKey is FIFFRQMEAHVHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h2,4,10,14H,1,3,5-9H2.
What are the key properties of 4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine?
4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine has a molecular weight of 195.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine is sourced from PubChem (CID 153361056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).