4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile

C13H14F2N2O2 — CID 70806901

IUPAC4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile
SMILESN#CC1(c2ccc(OC(F)F)c(O)c2)CCNCC1
InChIInChI=1S/C13H14F2N2O2/c14-12(15)19-11-2-1-9(7-10(11)18)13(8-16)3-5-17-6-4-13/h1-2,7,12,17-18H,3-6H2
InChIKeyUOMIGYRBQGZDHQ-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.14
Rot. Bonds3

About 4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile

4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile (PubChem CID 70806901) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile
PubChem CID70806901
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile
SMILESN#CC1(c2ccc(OC(F)F)c(O)c2)CCNCC1
InChIInChI=1S/C13H14F2N2O2/c14-12(15)19-11-2-1-9(7-10(11)18)13(8-16)3-5-17-6-4-13/h1-2,7,12,17-18H,3-6H2
InChIKeyUOMIGYRBQGZDHQ-UHFFFAOYSA-N
XLogP2.14
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile?
The IUPAC name of 4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile (CID 70806901) is 4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile is N#CC1(c2ccc(OC(F)F)c(O)c2)CCNCC1.
What is the InChIKey of 4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile?
The InChIKey is UOMIGYRBQGZDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c14-12(15)19-11-2-1-9(7-10(11)18)13(8-16)3-5-17-6-4-13/h1-2,7,12,17-18H,3-6H2.
What are the key properties of 4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile?
4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile has a molecular weight of 268.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)-3-hydroxyphenyl]piperidine-4-carbonitrile is sourced from PubChem (CID 70806901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).