N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline

C27H30ClFN4O — CID 169168360

IUPACN-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline
SMILESC=Nc1cc(C)ccc1NCCN1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C27H30ClFN4O/c1-19-6-9-25(26(16-19)30-2)31-12-15-33-13-10-20(11-14-33)24-4-3-5-27(32-24)34-18-21-7-8-22(28)17-23(21)29/h3-9,16-17,20,31H,2,10-15,18H2,1H3
InChIKeyWTVXYPUOULMBLY-UHFFFAOYSA-N
MW481.02 g/mol
LogP6.39
Rot. Bonds9

About N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline

N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline (PubChem CID 169168360) has the molecular formula C27H30ClFN4O and a molecular weight of 481.02 g/mol. Its IUPAC name is N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline.

Molecular Properties

Compound NameN-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline
PubChem CID169168360
Molecular FormulaC27H30ClFN4O
Molecular Weight481.02 g/mol
Exact Mass480.21
IUPAC NameN-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline
SMILESC=Nc1cc(C)ccc1NCCN1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C27H30ClFN4O/c1-19-6-9-25(26(16-19)30-2)31-12-15-33-13-10-20(11-14-33)24-4-3-5-27(32-24)34-18-21-7-8-22(28)17-23(21)29/h3-9,16-17,20,31H,2,10-15,18H2,1H3
InChIKeyWTVXYPUOULMBLY-UHFFFAOYSA-N
XLogP6.39
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.02
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline?
The IUPAC name of N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline (CID 169168360) is N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline.
What is the SMILES notation for N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline?
The canonical SMILES for N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline is C=Nc1cc(C)ccc1NCCN1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1.
What is the InChIKey of N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline?
The InChIKey is WTVXYPUOULMBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN4O/c1-19-6-9-25(26(16-19)30-2)31-12-15-33-13-10-20(11-14-33)24-4-3-5-27(32-24)34-18-21-7-8-22(28)17-23(21)29/h3-9,16-17,20,31H,2,10-15,18H2,1H3.
What are the key properties of N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline?
N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline has a molecular weight of 481.02 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline is sourced from PubChem (CID 169168360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).