4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline

C17H22N4 — CID 112719833

IUPAC4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline
SMILESCN1CCN(c2ccc(NCc3ccccn3)cc2)CC1
InChIInChI=1S/C17H22N4/c1-20-10-12-21(13-11-20)17-7-5-15(6-8-17)19-14-16-4-2-3-9-18-16/h2-9,19H,10-14H2,1H3
InChIKeyZEDSKEJQQOLQKE-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.45
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline

4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline (PubChem CID 112719833) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline
PubChem CID112719833
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline
SMILESCN1CCN(c2ccc(NCc3ccccn3)cc2)CC1
InChIInChI=1S/C17H22N4/c1-20-10-12-21(13-11-20)17-7-5-15(6-8-17)19-14-16-4-2-3-9-18-16/h2-9,19H,10-14H2,1H3
InChIKeyZEDSKEJQQOLQKE-UHFFFAOYSA-N
XLogP2.45
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191130
2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108963447
4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
CID 101246794
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113120301
4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109212916
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
N-[[6-(2-methylphenyl)isoquinolin-1-yl]methyl]-4-(4-methylpiperazin-1-yl)aniline
CID 90999697
6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919208
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112919106
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 172594232

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline (CID 112719833) is 4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline is CN1CCN(c2ccc(NCc3ccccn3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is ZEDSKEJQQOLQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-20-10-12-21(13-11-20)17-7-5-15(6-8-17)19-14-16-4-2-3-9-18-16/h2-9,19H,10-14H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline?
4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 282.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 112719833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).