4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine

C11H18F2N2 — CID 154026269

IUPAC4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine
SMILESCN1CCC(N2CCCC2=C(F)F)CC1
InChIInChI=1S/C11H18F2N2/c1-14-7-4-9(5-8-14)15-6-2-3-10(15)11(12)13/h9H,2-8H2,1H3
InChIKeyZDTVDNMXJZWNNQ-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.28
Rot. Bonds1

About 4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine

4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine (PubChem CID 154026269) has the molecular formula C11H18F2N2 and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine
PubChem CID154026269
Molecular FormulaC11H18F2N2
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC Name4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine
SMILESCN1CCC(N2CCCC2=C(F)F)CC1
InChIInChI=1S/C11H18F2N2/c1-14-7-4-9(5-8-14)15-6-2-3-10(15)11(12)13/h9H,2-8H2,1H3
InChIKeyZDTVDNMXJZWNNQ-UHFFFAOYSA-N
XLogP2.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,4-Difluoro-2-methylidenepyrrolidin-1-yl)-1-methylpiperidine
CID 154026249
1-Methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine
CID 162570284
4-(2-Methylidenepyrrolidin-1-yl)-1-propan-2-ylpiperidine
CID 121277354
1-Methyl-4-(2-methylidenepyrrolidin-1-yl)piperidine
CID 126735684

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine (CID 154026269) is 4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine is CN1CCC(N2CCCC2=C(F)F)CC1.
What is the InChIKey of 4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine?
The InChIKey is ZDTVDNMXJZWNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2/c1-14-7-4-9(5-8-14)15-6-2-3-10(15)11(12)13/h9H,2-8H2,1H3.
What are the key properties of 4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine?
4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine has a molecular weight of 216.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine is sourced from PubChem (CID 154026269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).