1-heptan-2-yl-4-prop-2-enylpiperazine

C14H28N2 — CID 146199786

IUPAC1-heptan-2-yl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(C)CCCCC)CC1
InChIInChI=1S/C14H28N2/c1-4-6-7-8-14(3)16-12-10-15(9-5-2)11-13-16/h5,14H,2,4,6-13H2,1,3H3
InChIKeyWHPBHAZDGYZRJT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.76
Rot. Bonds7

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

1-heptan-2-yl-4-prop-2-enylpiperazine (PubChem CID 146199786) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-heptan-2-yl-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-heptan-2-yl-4-prop-2-enylpiperazine
PubChem CID146199786
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-heptan-2-yl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(C)CCCCC)CC1
InChIInChI=1S/C14H28N2/c1-4-6-7-8-14(3)16-12-10-15(9-5-2)11-13-16/h5,14H,2,4,6-13H2,1,3H3
InChIKeyWHPBHAZDGYZRJT-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-4-prop-2-enylpiperazine?
The IUPAC name of 1-heptan-2-yl-4-prop-2-enylpiperazine (CID 146199786) is 1-heptan-2-yl-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-heptan-2-yl-4-prop-2-enylpiperazine?
The canonical SMILES for 1-heptan-2-yl-4-prop-2-enylpiperazine is C=CCN1CCN(C(C)CCCCC)CC1.
What is the InChIKey of 1-heptan-2-yl-4-prop-2-enylpiperazine?
The InChIKey is WHPBHAZDGYZRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-6-7-8-14(3)16-12-10-15(9-5-2)11-13-16/h5,14H,2,4,6-13H2,1,3H3.
What are the key properties of 1-heptan-2-yl-4-prop-2-enylpiperazine?
1-heptan-2-yl-4-prop-2-enylpiperazine has a molecular weight of 224.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-4-prop-2-enylpiperazine is sourced from PubChem (CID 146199786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).