1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol

C12H26N2O — CID 114447436

IUPAC1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
SMILESCCN1CCN(CC(C)(O)C(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-5-13-6-8-14(9-7-13)10-12(4,15)11(2)3/h11,15H,5-10H2,1-4H3
InChIKeyLNAJAKLNFQQSQZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.03
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol

1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol (PubChem CID 114447436) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
PubChem CID114447436
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
SMILESCCN1CCN(CC(C)(O)C(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-5-13-6-8-14(9-7-13)10-12(4,15)11(2)3/h11,15H,5-10H2,1-4H3
InChIKeyLNAJAKLNFQQSQZ-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114491211
1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol
CID 114449017
2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496943
2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496429
3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol
CID 62270177
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114496950
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol
CID 114447501
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol (CID 114447436) is 1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol is CCN1CCN(CC(C)(O)C(C)C)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol?
The InChIKey is LNAJAKLNFQQSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-13-6-8-14(9-7-13)10-12(4,15)11(2)3/h11,15H,5-10H2,1-4H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol?
1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114447436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).