4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol

C10H18F2N2O — CID 118958665

IUPAC4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol
SMILESOC1(CN2CCC(F)(F)C2)CCNCC1
InChIInChI=1S/C10H18F2N2O/c11-10(12)3-6-14(8-10)7-9(15)1-4-13-5-2-9/h13,15H,1-8H2
InChIKeyABXYHXAJXURROZ-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.44
Rot. Bonds2

About 4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol

4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol (PubChem CID 118958665) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol
PubChem CID118958665
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol
SMILESOC1(CN2CCC(F)(F)C2)CCNCC1
InChIInChI=1S/C10H18F2N2O/c11-10(12)3-6-14(8-10)7-9(15)1-4-13-5-2-9/h13,15H,1-8H2
InChIKeyABXYHXAJXURROZ-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol (CID 118958665) is 4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol is OC1(CN2CCC(F)(F)C2)CCNCC1.
What is the InChIKey of 4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol?
The InChIKey is ABXYHXAJXURROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c11-10(12)3-6-14(8-10)7-9(15)1-4-13-5-2-9/h13,15H,1-8H2.
What are the key properties of 4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol?
4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol has a molecular weight of 220.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 118958665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).