5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol

C15H30N2O — CID 123717552

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol
SMILESC=CC(CCC(C)CO)CN1CCN(CC)CC1
InChIInChI=1S/C15H30N2O/c1-4-15(7-6-14(3)13-18)12-17-10-8-16(5-2)9-11-17/h4,14-15,18H,1,5-13H2,2-3H3
InChIKeyAYNIAXBTJWHYKV-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.83
Rot. Bonds8

About 5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol

5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol (PubChem CID 123717552) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol
PubChem CID123717552
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol
SMILESC=CC(CCC(C)CO)CN1CCN(CC)CC1
InChIInChI=1S/C15H30N2O/c1-4-15(7-6-14(3)13-18)12-17-10-8-16(5-2)9-11-17/h4,14-15,18H,1,5-13H2,2-3H3
InChIKeyAYNIAXBTJWHYKV-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-pent-4-enylpiperidin-2-ol
CID 134859970
2-(1-Pent-4-enylpiperidin-3-yl)ethanol
CID 64298333
2-(1-But-3-enylpiperidin-3-yl)ethanol
CID 64298334
2-[1-(3-Methylhex-5-en-2-yl)piperidin-3-yl]ethanol
CID 104175760
(1-Hept-6-enylpiperidin-3-yl)methanol
CID 107010080
2-(1-Hept-6-enylpiperidin-3-yl)ethanol
CID 107010094
1-[4-(3-Methylbutyl)piperazin-1-yl]hex-5-en-2-ol
CID 112283450
3-(1-Methylpiperidin-4-yl)but-3-en-1-ol
CID 117268287
3-(1-Ethylpiperidin-4-yl)but-3-en-1-ol
CID 117268288

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol (CID 123717552) is 5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol is C=CC(CCC(C)CO)CN1CCN(CC)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol?
The InChIKey is AYNIAXBTJWHYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-15(7-6-14(3)13-18)12-17-10-8-16(5-2)9-11-17/h4,14-15,18H,1,5-13H2,2-3H3.
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol?
5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-2-methylhept-6-en-1-ol is sourced from PubChem (CID 123717552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).