5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine

C12H18N4 — CID 176665681

IUPAC5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
SMILESC=C(C)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C12H18N4/c1-10(2)15-5-7-16(8-6-15)11-3-4-12(13)14-9-11/h3-4,9H,1,5-8H2,2H3,(H2,13,14)
InChIKeyPHELQSHGTSSAST-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.32
Rot. Bonds2

About 5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine

5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine (PubChem CID 176665681) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
PubChem CID176665681
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
SMILESC=C(C)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C12H18N4/c1-10(2)15-5-7-16(8-6-15)11-3-4-12(13)14-9-11/h3-4,9H,1,5-8H2,2H3,(H2,13,14)
InChIKeyPHELQSHGTSSAST-UHFFFAOYSA-N
XLogP1.32
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000234
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
CID 43318150
5-(azepan-1-yl)pyridin-2-amine;dihydrochloride
CID 75537462
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949166
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 62921478
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
CID 107937396
9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
CID 142371873
5-(2,5-dihydropyrrol-1-yl)pyridin-2-amine
CID 65417066
2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 142371904

Frequently Asked Questions

What is the IUPAC name of 5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of 5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine (CID 176665681) is 5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for 5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine is C=C(C)N1CCN(c2ccc(N)nc2)CC1.
What is the InChIKey of 5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is PHELQSHGTSSAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(2)15-5-7-16(8-6-15)11-3-4-12(13)14-9-11/h3-4,9H,1,5-8H2,2H3,(H2,13,14).
What are the key properties of 5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine?
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 176665681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).