2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol

C13H23F2NO — CID 123654367

IUPAC2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol
SMILESCC(F)(F)CN1CCC(C2CC2CCO)CC1
InChIInChI=1S/C13H23F2NO/c1-13(14,15)9-16-5-2-10(3-6-16)12-8-11(12)4-7-17/h10-12,17H,2-9H2,1H3
InChIKeyUXQCVDDTAMDYIQ-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.37
Rot. Bonds5

About 2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol

2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol (PubChem CID 123654367) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol
PubChem CID123654367
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol
SMILESCC(F)(F)CN1CCC(C2CC2CCO)CC1
InChIInChI=1S/C13H23F2NO/c1-13(14,15)9-16-5-2-10(3-6-16)12-8-11(12)4-7-17/h10-12,17H,2-9H2,1H3
InChIKeyUXQCVDDTAMDYIQ-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol?
The IUPAC name of 2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol (CID 123654367) is 2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol?
The canonical SMILES for 2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol is CC(F)(F)CN1CCC(C2CC2CCO)CC1.
What is the InChIKey of 2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol?
The InChIKey is UXQCVDDTAMDYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-13(14,15)9-16-5-2-10(3-6-16)12-8-11(12)4-7-17/h10-12,17H,2-9H2,1H3.
What are the key properties of 2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol?
2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol has a molecular weight of 247.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol is sourced from PubChem (CID 123654367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).