N-(4-piperazin-1-ylphenyl)pyridin-2-amine

C15H18N4 — CID 82513961

IUPACN-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESc1ccc(Nc2ccc(N3CCNCC3)cc2)nc1
InChIInChI=1S/C15H18N4/c1-2-8-17-15(3-1)18-13-4-6-14(7-5-13)19-11-9-16-10-12-19/h1-8,16H,9-12H2,(H,17,18)
InChIKeyXGJGCFJNXURNFG-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.23
Rot. Bonds3

About N-(4-piperazin-1-ylphenyl)pyridin-2-amine

N-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 82513961) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID82513961
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESc1ccc(Nc2ccc(N3CCNCC3)cc2)nc1
InChIInChI=1S/C15H18N4/c1-2-8-17-15(3-1)18-13-4-6-14(7-5-13)19-11-9-16-10-12-19/h1-8,16H,9-12H2,(H,17,18)
InChIKeyXGJGCFJNXURNFG-UHFFFAOYSA-N
XLogP2.23
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of N-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 82513961) is N-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for N-(4-piperazin-1-ylphenyl)pyridin-2-amine is c1ccc(Nc2ccc(N3CCNCC3)cc2)nc1.
What is the InChIKey of N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is XGJGCFJNXURNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-8-17-15(3-1)18-13-4-6-14(7-5-13)19-11-9-16-10-12-19/h1-8,16H,9-12H2,(H,17,18).
What are the key properties of N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
N-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 82513961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).