3-piperazin-1-ylprop-1-en-2-amine

C7H15N3 — CID 67762905

IUPAC3-piperazin-1-ylprop-1-en-2-amine
SMILESC=C(N)CN1CCNCC1
InChIInChI=1S/C7H15N3/c1-7(8)6-10-4-2-9-3-5-10/h9H,1-6,8H2
InChIKeyCRWDOGKMRPKERP-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.64
Rot. Bonds2

About 3-piperazin-1-ylprop-1-en-2-amine

3-piperazin-1-ylprop-1-en-2-amine (PubChem CID 67762905) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-piperazin-1-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-piperazin-1-ylprop-1-en-2-amine
PubChem CID67762905
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-piperazin-1-ylprop-1-en-2-amine
SMILESC=C(N)CN1CCNCC1
InChIInChI=1S/C7H15N3/c1-7(8)6-10-4-2-9-3-5-10/h9H,1-6,8H2
InChIKeyCRWDOGKMRPKERP-UHFFFAOYSA-N
XLogP-0.64
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylprop-1-en-2-amine?
The IUPAC name of 3-piperazin-1-ylprop-1-en-2-amine (CID 67762905) is 3-piperazin-1-ylprop-1-en-2-amine.
What is the SMILES notation for 3-piperazin-1-ylprop-1-en-2-amine?
The canonical SMILES for 3-piperazin-1-ylprop-1-en-2-amine is C=C(N)CN1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylprop-1-en-2-amine?
The InChIKey is CRWDOGKMRPKERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-7(8)6-10-4-2-9-3-5-10/h9H,1-6,8H2.
What are the key properties of 3-piperazin-1-ylprop-1-en-2-amine?
3-piperazin-1-ylprop-1-en-2-amine has a molecular weight of 141.22 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylprop-1-en-2-amine is sourced from PubChem (CID 67762905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).