1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine

C10H18F2N2 — CID 167996550

IUPAC1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine
SMILESFC1(F)CNC(CN2CCCCC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)6-9(13-8-10)7-14-4-2-1-3-5-14/h9,13H,1-8H2
InChIKeyFKJRCRSYFGVGPZ-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.47
Rot. Bonds2

About 1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine

1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine (PubChem CID 167996550) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine
PubChem CID167996550
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine
SMILESFC1(F)CNC(CN2CCCCC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)6-9(13-8-10)7-14-4-2-1-3-5-14/h9,13H,1-8H2
InChIKeyFKJRCRSYFGVGPZ-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine?
The IUPAC name of 1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine (CID 167996550) is 1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine.
What is the SMILES notation for 1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine?
The canonical SMILES for 1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine is FC1(F)CNC(CN2CCCCC2)C1.
What is the InChIKey of 1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine?
The InChIKey is FKJRCRSYFGVGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)6-9(13-8-10)7-14-4-2-1-3-5-14/h9,13H,1-8H2.
What are the key properties of 1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine?
1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine has a molecular weight of 204.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine is sourced from PubChem (CID 167996550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).