N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine

C19H22F3N3O — CID 166062623

IUPACN-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESONCc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1C(F)(F)F
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)18-12-16(5-4-14(18)13-23-26)24-15-6-8-17(9-7-15)25-10-2-1-3-11-25/h4-9,12,23-24,26H,1-3,10-11,13H2
InChIKeyOXYNVYYKMRWMCX-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.92
Rot. Bonds5

About N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine

N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 166062623) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID166062623
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC NameN-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESONCc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1C(F)(F)F
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)18-12-16(5-4-14(18)13-23-26)24-15-6-8-17(9-7-15)25-10-2-1-3-11-25/h4-9,12,23-24,26H,1-3,10-11,13H2
InChIKeyOXYNVYYKMRWMCX-UHFFFAOYSA-N
XLogP4.92
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 166062623) is N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine is ONCc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1C(F)(F)F.
What is the InChIKey of N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is OXYNVYYKMRWMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c20-19(21,22)18-12-16(5-4-14(18)13-23-26)24-15-6-8-17(9-7-15)25-10-2-1-3-11-25/h4-9,12,23-24,26H,1-3,10-11,13H2.
What are the key properties of N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 365.40 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 166062623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).