3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine

C10H18F2N2 — CID 115023488

IUPAC3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
SMILESFC1(F)CCCN(CC2CCCN2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)4-2-6-14(8-10)7-9-3-1-5-13-9/h9,13H,1-8H2
InChIKeyDYTNPCIAKUFCDT-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.47
Rot. Bonds2

About 3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine

3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine (PubChem CID 115023488) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
PubChem CID115023488
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
SMILESFC1(F)CCCN(CC2CCCN2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)4-2-6-14(8-10)7-9-3-1-5-13-9/h9,13H,1-8H2
InChIKeyDYTNPCIAKUFCDT-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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Related Compounds

[3-fluoro-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 130719897
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
(3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid
CID 153347426
2-(pyrrolidin-2-ylmethyl)-2-azaspiro[3.5]nonane
CID 79677168
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane
CID 107393237
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 93204728
4-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 103495902
2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 102819699
2,2-dimethyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63219861
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55142508

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
The IUPAC name of 3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine (CID 115023488) is 3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine is FC1(F)CCCN(CC2CCCN2)C1.
What is the InChIKey of 3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
The InChIKey is DYTNPCIAKUFCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)4-2-6-14(8-10)7-9-3-1-5-13-9/h9,13H,1-8H2.
What are the key properties of 3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
3,3-difluoro-1-(pyrrolidin-2-ylmethyl)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 3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine is sourced from PubChem (CID 115023488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).