1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol

C15H30N2O — CID 107010100

IUPAC1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol
SMILESC=CCCCCCN1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H30N2O/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)14-15(2,3)18/h4,18H,1,5-14H2,2-3H3
InChIKeyZKCQCTRLLXKCRT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds8

About 1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol

1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol (PubChem CID 107010100) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol
PubChem CID107010100
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol
SMILESC=CCCCCCN1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H30N2O/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)14-15(2,3)18/h4,18H,1,5-14H2,2-3H3
InChIKeyZKCQCTRLLXKCRT-UHFFFAOYSA-N
XLogP2.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol (CID 107010100) is 1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol is C=CCCCCCN1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol?
The InChIKey is ZKCQCTRLLXKCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)14-15(2,3)18/h4,18H,1,5-14H2,2-3H3.
What are the key properties of 1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol?
1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hept-6-enylpiperazin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 107010100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).