4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane

C13H21F2NO — CID 142380154

IUPAC4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane
SMILESCC.FC1(F)CNCCC1OC1=CCCC=C1
InChIInChI=1S/C11H15F2NO.C2H6/c12-11(13)8-14-7-6-10(11)15-9-4-2-1-3-5-9;1-2/h2,4-5,10,14H,1,3,6-8H2;1-2H3
InChIKeyHBEDKQQBQYHBDH-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.26
Rot. Bonds2

About 4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane

4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane (PubChem CID 142380154) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane
PubChem CID142380154
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC Name4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane
SMILESCC.FC1(F)CNCCC1OC1=CCCC=C1
InChIInChI=1S/C11H15F2NO.C2H6/c12-11(13)8-14-7-6-10(11)15-9-4-2-1-3-5-9;1-2/h2,4-5,10,14H,1,3,6-8H2;1-2H3
InChIKeyHBEDKQQBQYHBDH-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine
CID 89355269
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxypiperidine
CID 89672767
4-[[4-Fluoro-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
CID 140229680
4-[2-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 142028547
4-(6-Fluorocyclohexa-1,5-dien-1-yl)oxy-1-methylpiperidine
CID 144191902
4-[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 145651622
4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
CID 164543507
Ethane;1-methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168416
4-Cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine
CID 142380155
4-[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 162578474
1-Methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168417
4-Piperidin-4-yloxycyclohexa-2,4-dien-1-amine
CID 68211950

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane (CID 142380154) is 4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane is CC.FC1(F)CNCCC1OC1=CCCC=C1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane?
The InChIKey is HBEDKQQBQYHBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO.C2H6/c12-11(13)8-14-7-6-10(11)15-9-4-2-1-3-5-9;1-2/h2,4-5,10,14H,1,3,6-8H2;1-2H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane?
4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane has a molecular weight of 245.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane is sourced from PubChem (CID 142380154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).