1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine

C12H17F2N — CID 66807098

IUPAC1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
SMILESFC1=CC=CC(F)C1CN1CCCCC1
InChIInChI=1S/C12H17F2N/c13-11-5-4-6-12(14)10(11)9-15-7-2-1-3-8-15/h4-6,10-11H,1-3,7-9H2
InChIKeyOHVKLBXWHHXKFD-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.85
Rot. Bonds2

About 1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine

1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine (PubChem CID 66807098) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
PubChem CID66807098
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
SMILESFC1=CC=CC(F)C1CN1CCCCC1
InChIInChI=1S/C12H17F2N/c13-11-5-4-6-12(14)10(11)9-15-7-2-1-3-8-15/h4-6,10-11H,1-3,7-9H2
InChIKeyOHVKLBXWHHXKFD-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine?
The IUPAC name of 1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine (CID 66807098) is 1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine is FC1=CC=CC(F)C1CN1CCCCC1.
What is the InChIKey of 1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine?
The InChIKey is OHVKLBXWHHXKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c13-11-5-4-6-12(14)10(11)9-15-7-2-1-3-8-15/h4-6,10-11H,1-3,7-9H2.
What are the key properties of 1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine?
1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine has a molecular weight of 213.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine is sourced from PubChem (CID 66807098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).