(2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine

C13H16F4N2 — CID 165141945

IUPAC(2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine
SMILESFc1ccc(F)c([C@@H]2C[C@H](NCC(F)F)CCN2)c1
InChIInChI=1S/C13H16F4N2/c14-8-1-2-11(15)10(5-8)12-6-9(3-4-18-12)19-7-13(16)17/h1-2,5,9,12-13,18-19H,3-4,6-7H2/t9-,12+/m1/s1
InChIKeyMOLWBIUPLYYTAM-SKDRFNHKSA-N
MW276.28 g/mol
LogP2.61
Rot. Bonds4

About (2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine

(2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine (PubChem CID 165141945) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name(2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine
PubChem CID165141945
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name(2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine
SMILESFc1ccc(F)c([C@@H]2C[C@H](NCC(F)F)CCN2)c1
InChIInChI=1S/C13H16F4N2/c14-8-1-2-11(15)10(5-8)12-6-9(3-4-18-12)19-7-13(16)17/h1-2,5,9,12-13,18-19H,3-4,6-7H2/t9-,12+/m1/s1
InChIKeyMOLWBIUPLYYTAM-SKDRFNHKSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide
CID 22615440
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
N-(2,2-difluoroethyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 167460363
CID 174947937
CID 174947937
ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
CID 165141938
(2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine
CID 167460306
(2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 138723133
2-[(2S)-azetidin-2-yl]-4-fluorophenol
CID 55277686
(2S)-2-(2-bromo-5-fluorophenyl)azetidine
CID 130681917
(2R)-2-(2-ethyl-5-fluorophenyl)azetidine
CID 55294534
tert-butyl N-[(2S,4R)-2-(2,5-difluorophenyl)piperidin-4-yl]-N-methylcarbamate
CID 176681562

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine?
The IUPAC name of (2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine (CID 165141945) is (2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine.
What is the SMILES notation for (2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine?
The canonical SMILES for (2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine is Fc1ccc(F)c([C@@H]2C[C@H](NCC(F)F)CCN2)c1.
What is the InChIKey of (2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine?
The InChIKey is MOLWBIUPLYYTAM-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H16F4N2/c14-8-1-2-11(15)10(5-8)12-6-9(3-4-18-12)19-7-13(16)17/h1-2,5,9,12-13,18-19H,3-4,6-7H2/t9-,12+/m1/s1.
What are the key properties of (2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine?
(2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine has a molecular weight of 276.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine is sourced from PubChem (CID 165141945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).