1-(1,4-dimethylpiperazin-2-yl)decan-1-ol

C16H34N2O — CID 79658821

IUPAC1-(1,4-dimethylpiperazin-2-yl)decan-1-ol
SMILESCCCCCCCCCC(O)C1CN(C)CCN1C
InChIInChI=1S/C16H34N2O/c1-4-5-6-7-8-9-10-11-16(19)15-14-17(2)12-13-18(15)3/h15-16,19H,4-14H2,1-3H3
InChIKeyXVOCINWZDGGMRR-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.73
Rot. Bonds9

About 1-(1,4-dimethylpiperazin-2-yl)decan-1-ol

1-(1,4-dimethylpiperazin-2-yl)decan-1-ol (PubChem CID 79658821) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)decan-1-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)decan-1-ol
PubChem CID79658821
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)decan-1-ol
SMILESCCCCCCCCCC(O)C1CN(C)CCN1C
InChIInChI=1S/C16H34N2O/c1-4-5-6-7-8-9-10-11-16(19)15-14-17(2)12-13-18(15)3/h15-16,19H,4-14H2,1-3H3
InChIKeyXVOCINWZDGGMRR-UHFFFAOYSA-N
XLogP2.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)decan-1-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)decan-1-ol (CID 79658821) is 1-(1,4-dimethylpiperazin-2-yl)decan-1-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)decan-1-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)decan-1-ol is CCCCCCCCCC(O)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)decan-1-ol?
The InChIKey is XVOCINWZDGGMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-5-6-7-8-9-10-11-16(19)15-14-17(2)12-13-18(15)3/h15-16,19H,4-14H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)decan-1-ol?
1-(1,4-dimethylpiperazin-2-yl)decan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.73, 9 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)decan-1-ol is sourced from PubChem (CID 79658821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).