1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol

C13H24N2O — CID 104804190

IUPAC1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol
SMILESCC#CCCC(O)CC1CN(C)CCN1C
InChIInChI=1S/C13H24N2O/c1-4-5-6-7-13(16)10-12-11-14(2)8-9-15(12)3/h12-13,16H,6-11H2,1-3H3
InChIKeyUJKRTWTZHOFVEV-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.79
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol

1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol (PubChem CID 104804190) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol
PubChem CID104804190
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol
SMILESCC#CCCC(O)CC1CN(C)CCN1C
InChIInChI=1S/C13H24N2O/c1-4-5-6-7-13(16)10-12-11-14(2)8-9-15(12)3/h12-13,16H,6-11H2,1-3H3
InChIKeyUJKRTWTZHOFVEV-UHFFFAOYSA-N
XLogP0.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine
CID 105260226
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
CID 115415360
1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
CID 115414788
1-cycloheptylhept-5-yn-2-ol
CID 115833770
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008451
1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
CID 115414970
1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414967
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
1-(1,4-dimethylpiperazin-2-yl)hex-5-yn-2-ylhydrazine
CID 105260180
2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol
CID 115414793
1-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415158

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol (CID 104804190) is 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol is CC#CCCC(O)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol?
The InChIKey is UJKRTWTZHOFVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-5-6-7-13(16)10-12-11-14(2)8-9-15(12)3/h12-13,16H,6-11H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol?
1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol has a molecular weight of 224.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol is sourced from PubChem (CID 104804190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).