3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine

C12H20N4 — CID 14854856

IUPAC3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
SMILESNCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H20N4/c13-5-3-7-15-8-10-16(11-9-15)12-4-1-2-6-14-12/h1-2,4,6H,3,5,7-11,13H2
InChIKeyWMVGBYAGZBNDBV-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.55
Rot. Bonds4

About 3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine

3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine (PubChem CID 14854856) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
PubChem CID14854856
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
SMILESNCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H20N4/c13-5-3-7-15-8-10-16(11-9-15)12-4-1-2-6-14-12/h1-2,4,6H,3,5,7-11,13H2
InChIKeyWMVGBYAGZBNDBV-UHFFFAOYSA-N
XLogP0.55
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine
CID 71294032
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257131

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine (CID 14854856) is 3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine is NCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine?
The InChIKey is WMVGBYAGZBNDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c13-5-3-7-15-8-10-16(11-9-15)12-4-1-2-6-14-12/h1-2,4,6H,3,5,7-11,13H2.
What are the key properties of 3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine?
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 14854856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).