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

C10H15F2N — CID 164649195

IUPAC(3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine
SMILESCC1CNC/C(=C\C2CC2(F)F)C1
InChIInChI=1S/C10H15F2N/c1-7-2-8(6-13-5-7)3-9-4-10(9,11)12/h3,7,9,13H,2,4-6H2,1H3/b8-3-
InChIKeyNANKGKYAEVWBLP-BAQGIRSFSA-N
MW187.23 g/mol
LogP2.20
Rot. Bonds1

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

(3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine (PubChem CID 164649195) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is (3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine.

Molecular Properties

Compound Name(3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine
PubChem CID164649195
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name(3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine
SMILESCC1CNC/C(=C\C2CC2(F)F)C1
InChIInChI=1S/C10H15F2N/c1-7-2-8(6-13-5-7)3-9-4-10(9,11)12/h3,7,9,13H,2,4-6H2,1H3/b8-3-
InChIKeyNANKGKYAEVWBLP-BAQGIRSFSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.20
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

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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
4-[(Z)-2-fluoroprop-1-enyl]piperidine
CID 131972842
4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine
CID 163237725
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
4-(3,3,3-Trifluoroprop-1-enyl)piperidine
CID 174312515
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine;ethane
CID 177353262
3-(3,3,3-Trifluoropropylidene)piperidine
CID 79880618
3-Fluoro-3-(2-methylprop-1-enyl)piperidine
CID 112562873
4-(1-Fluoro-3-methylbut-2-enyl)piperidine
CID 112563695

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine?
The IUPAC name of (3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine (CID 164649195) is (3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine.
What is the SMILES notation for (3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine?
The canonical SMILES for (3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine is CC1CNC/C(=C\C2CC2(F)F)C1.
What is the InChIKey of (3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine?
The InChIKey is NANKGKYAEVWBLP-BAQGIRSFSA-N. The full InChI is InChI=1S/C10H15F2N/c1-7-2-8(6-13-5-7)3-9-4-10(9,11)12/h3,7,9,13H,2,4-6H2,1H3/b8-3-.
What are the key properties of (3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine?
(3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine has a molecular weight of 187.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,2-difluorocyclopropyl)methylidene]-5-methylpiperidine is sourced from PubChem (CID 164649195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).