3,4-difluoroaniline;piperidin-3-ol

C11H16F2N2O — CID 158309036

IUPAC3,4-difluoroaniline;piperidin-3-ol
SMILESNc1ccc(F)c(F)c1.OC1CCCNC1
InChIInChI=1S/C6H5F2N.C5H11NO/c7-5-2-1-4(9)3-6(5)8;7-5-2-1-3-6-4-5/h1-3H,9H2;5-7H,1-4H2
InChIKeyGNLIAFZNIQTULZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.28
Rot. Bonds

About 3,4-difluoroaniline;piperidin-3-ol

3,4-difluoroaniline;piperidin-3-ol (PubChem CID 158309036) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3,4-difluoroaniline;piperidin-3-ol.

Molecular Properties

Compound Name3,4-difluoroaniline;piperidin-3-ol
PubChem CID158309036
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3,4-difluoroaniline;piperidin-3-ol
SMILESNc1ccc(F)c(F)c1.OC1CCCNC1
InChIInChI=1S/C6H5F2N.C5H11NO/c7-5-2-1-4(9)3-6(5)8;7-5-2-1-3-6-4-5/h1-3H,9H2;5-7H,1-4H2
InChIKeyGNLIAFZNIQTULZ-UHFFFAOYSA-N
XLogP1.28
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 93478585
ethane;piperidin-3-ol;pyrrolidine
CID 143998212
N-[2-(3,4-difluorophenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119338110
4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 159690612
5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol
CID 169117696
oxalic acid;piperidin-3-ol
CID 162306197
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 174879133
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
azepan-3-ol;3,7-dichloro-10H-phenoxazine
CID 144987793
2-fluoro-4-piperidin-3-yloxyaniline
CID 89089134

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoroaniline;piperidin-3-ol?
The IUPAC name of 3,4-difluoroaniline;piperidin-3-ol (CID 158309036) is 3,4-difluoroaniline;piperidin-3-ol.
What is the SMILES notation for 3,4-difluoroaniline;piperidin-3-ol?
The canonical SMILES for 3,4-difluoroaniline;piperidin-3-ol is Nc1ccc(F)c(F)c1.OC1CCCNC1.
What is the InChIKey of 3,4-difluoroaniline;piperidin-3-ol?
The InChIKey is GNLIAFZNIQTULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N.C5H11NO/c7-5-2-1-4(9)3-6(5)8;7-5-2-1-3-6-4-5/h1-3H,9H2;5-7H,1-4H2.
What are the key properties of 3,4-difluoroaniline;piperidin-3-ol?
3,4-difluoroaniline;piperidin-3-ol has a molecular weight of 230.26 g/mol, XLogP of 1.28, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoroaniline;piperidin-3-ol is sourced from PubChem (CID 158309036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).