N-benzyl-6-piperazin-1-ylpyridin-2-amine

C16H20N4 — CID 139670736

IUPACN-benzyl-6-piperazin-1-ylpyridin-2-amine
SMILESc1ccc(CNc2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H20N4/c1-2-5-14(6-3-1)13-18-15-7-4-8-16(19-15)20-11-9-17-10-12-20/h1-8,17H,9-13H2,(H,18,19)
InChIKeyHGHUJCQDWZBANA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.10
Rot. Bonds4

About N-benzyl-6-piperazin-1-ylpyridin-2-amine

N-benzyl-6-piperazin-1-ylpyridin-2-amine (PubChem CID 139670736) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-benzyl-6-piperazin-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-piperazin-1-ylpyridin-2-amine
PubChem CID139670736
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-benzyl-6-piperazin-1-ylpyridin-2-amine
SMILESc1ccc(CNc2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H20N4/c1-2-5-14(6-3-1)13-18-15-7-4-8-16(19-15)20-11-9-17-10-12-20/h1-8,17H,9-13H2,(H,18,19)
InChIKeyHGHUJCQDWZBANA-UHFFFAOYSA-N
XLogP2.10
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-piperazin-1-ylpyridin-2-amine?
The IUPAC name of N-benzyl-6-piperazin-1-ylpyridin-2-amine (CID 139670736) is N-benzyl-6-piperazin-1-ylpyridin-2-amine.
What is the SMILES notation for N-benzyl-6-piperazin-1-ylpyridin-2-amine?
The canonical SMILES for N-benzyl-6-piperazin-1-ylpyridin-2-amine is c1ccc(CNc2cccc(N3CCNCC3)n2)cc1.
What is the InChIKey of N-benzyl-6-piperazin-1-ylpyridin-2-amine?
The InChIKey is HGHUJCQDWZBANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-5-14(6-3-1)13-18-15-7-4-8-16(19-15)20-11-9-17-10-12-20/h1-8,17H,9-13H2,(H,18,19).
What are the key properties of N-benzyl-6-piperazin-1-ylpyridin-2-amine?
N-benzyl-6-piperazin-1-ylpyridin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-piperazin-1-ylpyridin-2-amine is sourced from PubChem (CID 139670736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).