1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine

C13H17F3N2O — CID 65202029

IUPAC1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine
SMILESNC1CCN(c2ccc(OCC(F)F)cc2F)CC1
InChIInChI=1S/C13H17F3N2O/c14-11-7-10(19-8-13(15)16)1-2-12(11)18-5-3-9(17)4-6-18/h1-2,7,9,13H,3-6,8,17H2
InChIKeyBXYORXALYZHLOW-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.40
Rot. Bonds4

About 1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine

1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine (PubChem CID 65202029) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine
PubChem CID65202029
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine
SMILESNC1CCN(c2ccc(OCC(F)F)cc2F)CC1
InChIInChI=1S/C13H17F3N2O/c14-11-7-10(19-8-13(15)16)1-2-12(11)18-5-3-9(17)4-6-18/h1-2,7,9,13H,3-6,8,17H2
InChIKeyBXYORXALYZHLOW-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxy-2-fluorophenyl)piperidin-4-amine
CID 65202408
1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine
CID 65202409
1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137326
1-(4-ethoxy-2-fluorophenyl)piperidin-3-amine
CID 65202172
1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine
CID 83134267
1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine
CID 83137981
1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine
CID 83137977
1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine
CID 83134817
1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine
CID 107514198
1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 62809520
1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine
CID 107613029
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine?
The IUPAC name of 1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine (CID 65202029) is 1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine?
The canonical SMILES for 1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine is NC1CCN(c2ccc(OCC(F)F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine?
The InChIKey is BXYORXALYZHLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-11-7-10(19-8-13(15)16)1-2-12(11)18-5-3-9(17)4-6-18/h1-2,7,9,13H,3-6,8,17H2.
What are the key properties of 1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine?
1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine has a molecular weight of 274.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine is sourced from PubChem (CID 65202029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).