3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine

C11H20F2N2 — CID 170621051

IUPAC3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
SMILESCC1CCN(C2CCN(C)C2)CC1(F)F
InChIInChI=1S/C11H20F2N2/c1-9-3-6-15(8-11(9,12)13)10-4-5-14(2)7-10/h9-10H,3-8H2,1-2H3
InChIKeyJJXOYVMKSJWPAM-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.67
Rot. Bonds1

About 3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine

3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine (PubChem CID 170621051) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
PubChem CID170621051
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
SMILESCC1CCN(C2CCN(C)C2)CC1(F)F
InChIInChI=1S/C11H20F2N2/c1-9-3-6-15(8-11(9,12)13)10-4-5-14(2)7-10/h9-10H,3-8H2,1-2H3
InChIKeyJJXOYVMKSJWPAM-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine?
The IUPAC name of 3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine (CID 170621051) is 3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine.
What is the SMILES notation for 3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine?
The canonical SMILES for 3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine is CC1CCN(C2CCN(C)C2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine?
The InChIKey is JJXOYVMKSJWPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-9-3-6-15(8-11(9,12)13)10-4-5-14(2)7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine?
3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine has a molecular weight of 218.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine is sourced from PubChem (CID 170621051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).