2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline

C16H20N4 — CID 19626880

IUPAC2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
SMILESNc1ccccc1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H20N4/c17-15-6-1-2-7-16(15)20-11-9-19(10-12-20)13-14-5-3-4-8-18-14/h1-8H,9-13,17H2
InChIKeyFDWOLGYAHYAUAS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.99
Rot. Bonds3

About 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline

2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline (PubChem CID 19626880) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
PubChem CID19626880
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
SMILESNc1ccccc1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H20N4/c17-15-6-1-2-7-16(15)20-11-9-19(10-12-20)13-14-5-3-4-8-18-14/h1-8H,9-13,17H2
InChIKeyFDWOLGYAHYAUAS-UHFFFAOYSA-N
XLogP1.99
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19627843
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine
CID 71850443
2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
CID 19626878
6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519428
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 171327392
[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-pyridinyl]methanol
CID 131914452
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline?
The IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline (CID 19626880) is 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline.
What is the SMILES notation for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline?
The canonical SMILES for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline is Nc1ccccc1N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline?
The InChIKey is FDWOLGYAHYAUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-15-6-1-2-7-16(15)20-11-9-19(10-12-20)13-14-5-3-4-8-18-14/h1-8H,9-13,17H2.
What are the key properties of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline?
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline has a molecular weight of 268.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 19626880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).