N-[(1-benzylpiperidin-4-ylidene)amino]aniline

C18H21N3 — CID 833115

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]aniline
SMILESc1ccc(CN2CCC(=NNc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N3/c1-3-7-16(8-4-1)15-21-13-11-18(12-14-21)20-19-17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKeyCTSVHRMWZJAAMG-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.75
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]aniline

N-[(1-benzylpiperidin-4-ylidene)amino]aniline (PubChem CID 833115) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]aniline.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]aniline
PubChem CID833115
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]aniline
SMILESc1ccc(CN2CCC(=NNc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N3/c1-3-7-16(8-4-1)15-21-13-11-18(12-14-21)20-19-17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKeyCTSVHRMWZJAAMG-UHFFFAOYSA-N
XLogP3.75
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.75
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-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 616784
1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile
CID 6899047
Benzalacetophenone phenylhydrazone
CID 5716958
4-phenyl-N-(3-phenyl-2-propen-1-ylidene)-1-piperazinamine
CID 5540418
{3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-isoindol-1-yl}-methylene-amine
CID 44396856
1-Benzyl-4-phenyliminopiperidine
CID 13860895
2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline
CID 90666446
4-[(4-Benzylpiperazin-1-yl)methyl]aniline
CID 18005713
4-Phenyl-3-buten-2-one phenylhydrazone
CID 9615414
N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]aniline
CID 164626956
N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline
CID 171350851
N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline
CID 171352963

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]aniline?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]aniline (CID 833115) is N-[(1-benzylpiperidin-4-ylidene)amino]aniline.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]aniline?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]aniline is c1ccc(CN2CCC(=NNc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]aniline?
The InChIKey is CTSVHRMWZJAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-7-16(8-4-1)15-21-13-11-18(12-14-21)20-19-17-9-5-2-6-10-17/h1-10,19H,11-15H2.
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]aniline?
N-[(1-benzylpiperidin-4-ylidene)amino]aniline has a molecular weight of 279.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]aniline is sourced from PubChem (CID 833115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).