2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol

C13H24F2N2O — CID 123623372

IUPAC2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCN1CCC(N2CC(F)(F)CC2C(C)(C)O)CC1
InChIInChI=1S/C13H24F2N2O/c1-12(2,18)11-8-13(14,15)9-17(11)10-4-6-16(3)7-5-10/h10-11,18H,4-9H2,1-3H3
InChIKeyWCOXBIQHZFNNTR-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.56
Rot. Bonds2

About 2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol

2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 123623372) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID123623372
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCN1CCC(N2CC(F)(F)CC2C(C)(C)O)CC1
InChIInChI=1S/C13H24F2N2O/c1-12(2,18)11-8-13(14,15)9-17(11)10-4-6-16(3)7-5-10/h10-11,18H,4-9H2,1-3H3
InChIKeyWCOXBIQHZFNNTR-UHFFFAOYSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol (CID 123623372) is 2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol is CN1CCC(N2CC(F)(F)CC2C(C)(C)O)CC1.
What is the InChIKey of 2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is WCOXBIQHZFNNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-12(2,18)11-8-13(14,15)9-17(11)10-4-6-16(3)7-5-10/h10-11,18H,4-9H2,1-3H3.
What are the key properties of 2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 262.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 123623372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).