(3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine

C11H17F2N — CID 164649179

IUPAC(3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine
SMILESCC1CNC/C(=C\CC2CC2(F)F)C1
InChIInChI=1S/C11H17F2N/c1-8-4-9(7-14-6-8)2-3-10-5-11(10,12)13/h2,8,10,14H,3-7H2,1H3/b9-2-
InChIKeyULIPOLDRKSSFFS-MBXJOHMKSA-N
MW201.26 g/mol
LogP2.59
Rot. Bonds2

About (3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine

(3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine (PubChem CID 164649179) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine.

Molecular Properties

Compound Name(3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine
PubChem CID164649179
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine
SMILESCC1CNC/C(=C\CC2CC2(F)F)C1
InChIInChI=1S/C11H17F2N/c1-8-4-9(7-14-6-8)2-3-10-5-11(10,12)13/h2,8,10,14H,3-7H2,1H3/b9-2-
InChIKeyULIPOLDRKSSFFS-MBXJOHMKSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpentan-1-amine
CID 142528770
4-[(2E,3Z)-2-ethylidene-1,1-difluorohexa-3,5-dienyl]piperidine
CID 153536674
1-[3-(aminomethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N-methylcyclopropan-1-amine
CID 163430158
(2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine
CID 169114344
2-(4,4-Difluorocyclohexen-1-yl)-5-methylpiperidine
CID 169751451
3-Fluoro-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 172345431
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine
CID 172353948
3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine
CID 176663282
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine;ethane
CID 177353262

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine?
The IUPAC name of (3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine (CID 164649179) is (3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine.
What is the SMILES notation for (3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine?
The canonical SMILES for (3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine is CC1CNC/C(=C\CC2CC2(F)F)C1.
What is the InChIKey of (3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine?
The InChIKey is ULIPOLDRKSSFFS-MBXJOHMKSA-N. The full InChI is InChI=1S/C11H17F2N/c1-8-4-9(7-14-6-8)2-3-10-5-11(10,12)13/h2,8,10,14H,3-7H2,1H3/b9-2-.
What are the key properties of (3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine?
(3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine has a molecular weight of 201.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[2-(2,2-difluorocyclopropyl)ethylidene]-5-methylpiperidine is sourced from PubChem (CID 164649179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).