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

C14H25F2NO — CID 123553754

IUPAC2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol
SMILESCCC(F)(F)CN1CCC(C2CC2CCO)CC1
InChIInChI=1S/C14H25F2NO/c1-2-14(15,16)10-17-6-3-11(4-7-17)13-9-12(13)5-8-18/h11-13,18H,2-10H2,1H3
InChIKeyGQSGGWTVBIQUSM-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.76
Rot. Bonds6

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

2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol (PubChem CID 123553754) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol
PubChem CID123553754
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol
SMILESCCC(F)(F)CN1CCC(C2CC2CCO)CC1
InChIInChI=1S/C14H25F2NO/c1-2-14(15,16)10-17-6-3-11(4-7-17)13-9-12(13)5-8-18/h11-13,18H,2-10H2,1H3
InChIKeyGQSGGWTVBIQUSM-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.76
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-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol?
The IUPAC name of 2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol (CID 123553754) is 2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol?
The canonical SMILES for 2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol is CCC(F)(F)CN1CCC(C2CC2CCO)CC1.
What is the InChIKey of 2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol?
The InChIKey is GQSGGWTVBIQUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-2-14(15,16)10-17-6-3-11(4-7-17)13-9-12(13)5-8-18/h11-13,18H,2-10H2,1H3.
What are the key properties of 2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol?
2-[2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol has a molecular weight of 261.36 g/mol, XLogP of 2.76, 6 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-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol is sourced from PubChem (CID 123553754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).