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

C13H28N2O — CID 115414788

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CC1CN(C)CCN1C
InChIInChI=1S/C13H28N2O/c1-5-11(6-2)13(16)9-12-10-14(3)7-8-15(12)4/h11-13,16H,5-10H2,1-4H3
InChIKeyFZSRXUYBPSBHGQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds5

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

1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol (PubChem CID 115414788) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
PubChem CID115414788
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CC1CN(C)CCN1C
InChIInChI=1S/C13H28N2O/c1-5-11(6-2)13(16)9-12-10-14(3)7-8-15(12)4/h11-13,16H,5-10H2,1-4H3
InChIKeyFZSRXUYBPSBHGQ-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377
1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol
CID 104804190
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414967
1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylpentan-2-amine
CID 115415365
2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol
CID 115414793
1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one
CID 115414648
1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414907
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 115414903
1-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415158
1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
CID 115414970

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol (CID 115414788) is 1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol is CCC(CC)C(O)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol?
The InChIKey is FZSRXUYBPSBHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-11(6-2)13(16)9-12-10-14(3)7-8-15(12)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol?
1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 5 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-ethylpentan-2-ol is sourced from PubChem (CID 115414788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).