N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline

C19H23N3 — CID 171352963

IUPACN-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline
SMILESCC1CCCCN1c1ccc(/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3/c1-16-7-5-6-14-22(16)19-12-10-17(11-13-19)15-20-21-18-8-3-2-4-9-18/h2-4,8-13,15-16,21H,5-7,14H2,1H3/b20-15+
InChIKeyVPOQLYIXHYKVLY-HMMYKYKNSA-N
MW293.41 g/mol
LogP4.51
Rot. Bonds4

About N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline

N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline (PubChem CID 171352963) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline
PubChem CID171352963
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline
SMILESCC1CCCCN1c1ccc(/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3/c1-16-7-5-6-14-22(16)19-12-10-17(11-13-19)15-20-21-18-8-3-2-4-9-18/h2-4,8-13,15-16,21H,5-7,14H2,1H3/b20-15+
InChIKeyVPOQLYIXHYKVLY-HMMYKYKNSA-N
XLogP4.51
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.51
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

1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid
CID 169383937
N-[4-(2-methylpiperidin-1-yl)phenyl]formamide
CID 168652769
N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382068
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]naphthalene-2-carboxamide
CID 40922093
N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 169382646
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
CID 7955344
2,2-dimethyl-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]propanamide
CID 26012819
N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline
CID 169382048
(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone
CID 169383570

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline (CID 171352963) is N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline is CC1CCCCN1c1ccc(/C=N/Nc2ccccc2)cc1.
What is the InChIKey of N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline?
The InChIKey is VPOQLYIXHYKVLY-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23N3/c1-16-7-5-6-14-22(16)19-12-10-17(11-13-19)15-20-21-18-8-3-2-4-9-18/h2-4,8-13,15-16,21H,5-7,14H2,1H3/b20-15+.
What are the key properties of N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline?
N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline has a molecular weight of 293.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 171352963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).