1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine

C12H22N4 — CID 19068117

IUPAC1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine
SMILESNC1=CCN(CCCN2CCNCC2)C=C1
InChIInChI=1S/C12H22N4/c13-12-2-8-15(9-3-12)6-1-7-16-10-4-14-5-11-16/h2-3,8,14H,1,4-7,9-11,13H2
InChIKeyKBZJGXLPDXHARG-UHFFFAOYSA-N
MW222.34 g/mol
LogP-0.05
Rot. Bonds4

About 1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine

1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine (PubChem CID 19068117) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine
PubChem CID19068117
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine
SMILESNC1=CCN(CCCN2CCNCC2)C=C1
InChIInChI=1S/C12H22N4/c13-12-2-8-15(9-3-12)6-1-7-16-10-4-14-5-11-16/h2-3,8,14H,1,4-7,9-11,13H2
InChIKeyKBZJGXLPDXHARG-UHFFFAOYSA-N
XLogP-0.05
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine?
The IUPAC name of 1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine (CID 19068117) is 1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine.
What is the SMILES notation for 1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine?
The canonical SMILES for 1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine is NC1=CCN(CCCN2CCNCC2)C=C1.
What is the InChIKey of 1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine?
The InChIKey is KBZJGXLPDXHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c13-12-2-8-15(9-3-12)6-1-7-16-10-4-14-5-11-16/h2-3,8,14H,1,4-7,9-11,13H2.
What are the key properties of 1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine?
1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine has a molecular weight of 222.34 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine is sourced from PubChem (CID 19068117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).