1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol

C12H24N2O — CID 79658901

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)C1CN(C)CCN1C
InChIInChI=1S/C12H24N2O/c1-5-10(2)8-12(15)11-9-13(3)6-7-14(11)4/h11-12,15H,2,5-9H2,1,3-4H3
InChIKeyRGEQRQSBZUFIET-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol

1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol (PubChem CID 79658901) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol
PubChem CID79658901
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)C1CN(C)CCN1C
InChIInChI=1S/C12H24N2O/c1-5-10(2)8-12(15)11-9-13(3)6-7-14(11)4/h11-12,15H,2,5-9H2,1,3-4H3
InChIKeyRGEQRQSBZUFIET-UHFFFAOYSA-N
XLogP0.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol (CID 79658901) is 1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol?
The InChIKey is RGEQRQSBZUFIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-10(2)8-12(15)11-9-13(3)6-7-14(11)4/h11-12,15H,2,5-9H2,1,3-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol?
1-(1,4-dimethylpiperazin-2-yl)-3-methylidenepentan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.95, 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)-3-methylidenepentan-1-ol is sourced from PubChem (CID 79658901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).