1-propan-2-yl-4-prop-2-enylpiperazine

C10H20N2 — CID 20613816

IUPAC1-propan-2-yl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H20N2/c1-4-5-11-6-8-12(9-7-11)10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyPPZRRIWCEKRSJJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.20
Rot. Bonds3

About 1-propan-2-yl-4-prop-2-enylpiperazine

1-propan-2-yl-4-prop-2-enylpiperazine (PubChem CID 20613816) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-propan-2-yl-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-prop-2-enylpiperazine
PubChem CID20613816
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-propan-2-yl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H20N2/c1-4-5-11-6-8-12(9-7-11)10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyPPZRRIWCEKRSJJ-UHFFFAOYSA-N
XLogP1.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-prop-2-enylpiperazine?
The IUPAC name of 1-propan-2-yl-4-prop-2-enylpiperazine (CID 20613816) is 1-propan-2-yl-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-propan-2-yl-4-prop-2-enylpiperazine?
The canonical SMILES for 1-propan-2-yl-4-prop-2-enylpiperazine is C=CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-prop-2-enylpiperazine?
The InChIKey is PPZRRIWCEKRSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-11-6-8-12(9-7-11)10(2)3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 1-propan-2-yl-4-prop-2-enylpiperazine?
1-propan-2-yl-4-prop-2-enylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-prop-2-enylpiperazine is sourced from PubChem (CID 20613816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).