N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline

C19H20F3N3 — CID 110841699

IUPACN-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NN=Cc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C19H20F3N3/c20-19(21,22)16-5-4-6-17(13-16)24-23-14-15-7-9-18(10-8-15)25-11-2-1-3-12-25/h4-10,13-14,24H,1-3,11-12H2
InChIKeyQZINNTZCCOGRRW-UHFFFAOYSA-N
MW347.38 g/mol
LogP5.14
Rot. Bonds4

About N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline

N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline (PubChem CID 110841699) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
PubChem CID110841699
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC NameN-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NN=Cc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C19H20F3N3/c20-19(21,22)16-5-4-6-17(13-16)24-23-14-15-7-9-18(10-8-15)25-11-2-1-3-12-25/h4-10,13-14,24H,1-3,11-12H2
InChIKeyQZINNTZCCOGRRW-UHFFFAOYSA-N
XLogP5.14
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.38
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933190
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841664
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7922480
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260
2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
CID 7955344
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
2-methoxy-5-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 110841513
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841674
6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 140539776

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline (CID 110841699) is N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NN=Cc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline?
The InChIKey is QZINNTZCCOGRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3/c20-19(21,22)16-5-4-6-17(13-16)24-23-14-15-7-9-18(10-8-15)25-11-2-1-3-12-25/h4-10,13-14,24H,1-3,11-12H2.
What are the key properties of N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline?
N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline has a molecular weight of 347.38 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 110841699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).