1-pentyl-4-prop-2-enylpiperazine

C12H24N2 — CID 66656054

IUPAC1-pentyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCCCC)CC1
InChIInChI=1S/C12H24N2/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h4H,2-3,5-12H2,1H3
InChIKeySBSHKSIPBNYKGR-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.98
Rot. Bonds6

About 1-pentyl-4-prop-2-enylpiperazine

1-pentyl-4-prop-2-enylpiperazine (PubChem CID 66656054) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-pentyl-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-pentyl-4-prop-2-enylpiperazine
PubChem CID66656054
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-pentyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCCCC)CC1
InChIInChI=1S/C12H24N2/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h4H,2-3,5-12H2,1H3
InChIKeySBSHKSIPBNYKGR-UHFFFAOYSA-N
XLogP1.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.98
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-pentyl-4-prop-2-enylpiperazine?
The IUPAC name of 1-pentyl-4-prop-2-enylpiperazine (CID 66656054) is 1-pentyl-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-pentyl-4-prop-2-enylpiperazine?
The canonical SMILES for 1-pentyl-4-prop-2-enylpiperazine is C=CCN1CCN(CCCCC)CC1.
What is the InChIKey of 1-pentyl-4-prop-2-enylpiperazine?
The InChIKey is SBSHKSIPBNYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h4H,2-3,5-12H2,1H3.
What are the key properties of 1-pentyl-4-prop-2-enylpiperazine?
1-pentyl-4-prop-2-enylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-prop-2-enylpiperazine is sourced from PubChem (CID 66656054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).