4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine

C10H15F2N — CID 163237725

IUPAC4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine
SMILESC=C(/C=C/C)C1CNCCC1(F)F
InChIInChI=1S/C10H15F2N/c1-3-4-8(2)9-7-13-6-5-10(9,11)12/h3-4,9,13H,2,5-7H2,1H3/b4-3+
InChIKeyDIPCPBZPEZHYJZ-ONEGZZNKSA-N
MW187.23 g/mol
LogP2.36
Rot. Bonds2

About 4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine

4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine (PubChem CID 163237725) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine
PubChem CID163237725
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine
SMILESC=C(/C=C/C)C1CNCCC1(F)F
InChIInChI=1S/C10H15F2N/c1-3-4-8(2)9-7-13-6-5-10(9,11)12/h3-4,9,13H,2,5-7H2,1H3/b4-3+
InChIKeyDIPCPBZPEZHYJZ-ONEGZZNKSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(Difluoromethylidene)-tetrahydroquinoline
CID 171378030
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
5,6-Difluoro-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69826954
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperidine
CID 89358844

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine?
The IUPAC name of 4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine (CID 163237725) is 4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine.
What is the SMILES notation for 4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine?
The canonical SMILES for 4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine is C=C(/C=C/C)C1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine?
The InChIKey is DIPCPBZPEZHYJZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15F2N/c1-3-4-8(2)9-7-13-6-5-10(9,11)12/h3-4,9,13H,2,5-7H2,1H3/b4-3+.
What are the key properties of 4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine?
4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine has a molecular weight of 187.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine is sourced from PubChem (CID 163237725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).