3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine

C14H26F2N2 — CID 154670856

IUPAC3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine
SMILESCC(C)CC1CCN(C2CCN(C)CC2(F)F)C1
InChIInChI=1S/C14H26F2N2/c1-11(2)8-12-4-7-18(9-12)13-5-6-17(3)10-14(13,15)16/h11-13H,4-10H2,1-3H3
InChIKeyZMEYYXKYELIXFX-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.69
Rot. Bonds3

About 3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine

3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine (PubChem CID 154670856) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine
PubChem CID154670856
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC Name3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine
SMILESCC(C)CC1CCN(C2CCN(C)CC2(F)F)C1
InChIInChI=1S/C14H26F2N2/c1-11(2)8-12-4-7-18(9-12)13-5-6-17(3)10-14(13,15)16/h11-13H,4-10H2,1-3H3
InChIKeyZMEYYXKYELIXFX-UHFFFAOYSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine (CID 154670856) is 3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine is CC(C)CC1CCN(C2CCN(C)CC2(F)F)C1.
What is the InChIKey of 3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine?
The InChIKey is ZMEYYXKYELIXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-11(2)8-12-4-7-18(9-12)13-5-6-17(3)10-14(13,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of 3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine?
3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine has a molecular weight of 260.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 154670856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).