(2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone

C16H22F2N2O — CID 62091602

IUPAC(2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2cc(F)c(F)cc2N)CC1
InChIInChI=1S/C16H22F2N2O/c1-16(2,3)10-4-6-20(7-5-10)15(21)11-8-12(17)13(18)9-14(11)19/h8-10H,4-7,19H2,1-3H3
InChIKeyQCCBZDZCIBKGNG-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.45
Rot. Bonds1

About (2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone

(2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone (PubChem CID 62091602) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is (2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone
PubChem CID62091602
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name(2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2cc(F)c(F)cc2N)CC1
InChIInChI=1S/C16H22F2N2O/c1-16(2,3)10-4-6-20(7-5-10)15(21)11-8-12(17)13(18)9-14(11)19/h8-10H,4-7,19H2,1-3H3
InChIKeyQCCBZDZCIBKGNG-UHFFFAOYSA-N
XLogP3.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone (CID 62091602) is (2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone is CC(C)(C)C1CCN(C(=O)c2cc(F)c(F)cc2N)CC1.
What is the InChIKey of (2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The InChIKey is QCCBZDZCIBKGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-16(2,3)10-4-6-20(7-5-10)15(21)11-8-12(17)13(18)9-14(11)19/h8-10H,4-7,19H2,1-3H3.
What are the key properties of (2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone?
(2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone has a molecular weight of 296.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone is sourced from PubChem (CID 62091602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).