4-[(4-piperidin-1-ylanilino)methyl]aniline

C18H23N3 — CID 83949136

IUPAC4-[(4-piperidin-1-ylanilino)methyl]aniline
SMILESNc1ccc(CNc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C18H23N3/c19-16-6-4-15(5-7-16)14-20-17-8-10-18(11-9-17)21-12-2-1-3-13-21/h4-11,20H,1-3,12-14,19H2
InChIKeyQBWLPDXSUVJSNX-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.87
Rot. Bonds4

About 4-[(4-piperidin-1-ylanilino)methyl]aniline

4-[(4-piperidin-1-ylanilino)methyl]aniline (PubChem CID 83949136) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(4-piperidin-1-ylanilino)methyl]aniline.

Molecular Properties

Compound Name4-[(4-piperidin-1-ylanilino)methyl]aniline
PubChem CID83949136
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-[(4-piperidin-1-ylanilino)methyl]aniline
SMILESNc1ccc(CNc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C18H23N3/c19-16-6-4-15(5-7-16)14-20-17-8-10-18(11-9-17)21-12-2-1-3-13-21/h4-11,20H,1-3,12-14,19H2
InChIKeyQBWLPDXSUVJSNX-UHFFFAOYSA-N
XLogP3.87
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline
CID 43715642
4-[(4-pyrrolidin-1-ylanilino)methyl]benzene-1,2-diol
CID 43732176
N-[(3,5-dichlorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 60790170
(4-pyrrolidin-1-ylphenyl)methylhydrazine
CID 22728051
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline
CID 66414741
4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]aniline
CID 59231458
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 39447919

Frequently Asked Questions

What is the IUPAC name of 4-[(4-piperidin-1-ylanilino)methyl]aniline?
The IUPAC name of 4-[(4-piperidin-1-ylanilino)methyl]aniline (CID 83949136) is 4-[(4-piperidin-1-ylanilino)methyl]aniline.
What is the SMILES notation for 4-[(4-piperidin-1-ylanilino)methyl]aniline?
The canonical SMILES for 4-[(4-piperidin-1-ylanilino)methyl]aniline is Nc1ccc(CNc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[(4-piperidin-1-ylanilino)methyl]aniline?
The InChIKey is QBWLPDXSUVJSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c19-16-6-4-15(5-7-16)14-20-17-8-10-18(11-9-17)21-12-2-1-3-13-21/h4-11,20H,1-3,12-14,19H2.
What are the key properties of 4-[(4-piperidin-1-ylanilino)methyl]aniline?
4-[(4-piperidin-1-ylanilino)methyl]aniline has a molecular weight of 281.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-piperidin-1-ylanilino)methyl]aniline is sourced from PubChem (CID 83949136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).