1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol

C14H26N2O — CID 114190180

IUPAC1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol
SMILESCN1CCN(C)C(C(O)CC#CC(C)(C)C)C1
InChIInChI=1S/C14H26N2O/c1-14(2,3)8-6-7-13(17)12-11-15(4)9-10-16(12)5/h12-13,17H,7,9-11H2,1-5H3
InChIKeyKPMHLLMXHSSXNG-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.03
Rot. Bonds2

About 1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol

1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol (PubChem CID 114190180) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol
PubChem CID114190180
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol
SMILESCN1CCN(C)C(C(O)CC#CC(C)(C)C)C1
InChIInChI=1S/C14H26N2O/c1-14(2,3)8-6-7-13(17)12-11-15(4)9-10-16(12)5/h12-13,17H,7,9-11H2,1-5H3
InChIKeyKPMHLLMXHSSXNG-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol (CID 114190180) is 1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol is CN1CCN(C)C(C(O)CC#CC(C)(C)C)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol?
The InChIKey is KPMHLLMXHSSXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)8-6-7-13(17)12-11-15(4)9-10-16(12)5/h12-13,17H,7,9-11H2,1-5H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol?
1-(1,4-dimethylpiperazin-2-yl)-5,5-dimethylhex-3-yn-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.03, 2 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)-5,5-dimethylhex-3-yn-1-ol is sourced from PubChem (CID 114190180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).