(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol

C10H18F2N2O — CID 121204083

IUPAC(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol
SMILESOCC1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C10H18F2N2O/c11-10(12)5-9(6-15)14(7-10)8-1-3-13-4-2-8/h8-9,13,15H,1-7H2
InChIKeyPQDDYMGDTKOVRF-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.44
Rot. Bonds2

About (4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol

(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol (PubChem CID 121204083) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is (4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol
PubChem CID121204083
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol
SMILESOCC1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C10H18F2N2O/c11-10(12)5-9(6-15)14(7-10)8-1-3-13-4-2-8/h8-9,13,15H,1-7H2
InChIKeyPQDDYMGDTKOVRF-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 (4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol?
The IUPAC name of (4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol (CID 121204083) is (4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol is OCC1CC(F)(F)CN1C1CCNCC1.
What is the InChIKey of (4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol?
The InChIKey is PQDDYMGDTKOVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c11-10(12)5-9(6-15)14(7-10)8-1-3-13-4-2-8/h8-9,13,15H,1-7H2.
What are the key properties of (4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol?
(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol 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 (4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 121204083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).