ethane;(1,2,4-trimethylpiperazin-2-yl)methanol

C10H24N2O — CID 177010134

IUPACethane;(1,2,4-trimethylpiperazin-2-yl)methanol
SMILESCC.CN1CCN(C)C(C)(CO)C1
InChIInChI=1S/C8H18N2O.C2H6/c1-8(7-11)6-9(2)4-5-10(8)3;1-2/h11H,4-7H2,1-3H3;1-2H3
InChIKeyASRMRDYLMZCDMK-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.64
Rot. Bonds1

About ethane;(1,2,4-trimethylpiperazin-2-yl)methanol

ethane;(1,2,4-trimethylpiperazin-2-yl)methanol (PubChem CID 177010134) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is ethane;(1,2,4-trimethylpiperazin-2-yl)methanol.

Molecular Properties

Compound Nameethane;(1,2,4-trimethylpiperazin-2-yl)methanol
PubChem CID177010134
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Nameethane;(1,2,4-trimethylpiperazin-2-yl)methanol
SMILESCC.CN1CCN(C)C(C)(CO)C1
InChIInChI=1S/C8H18N2O.C2H6/c1-8(7-11)6-9(2)4-5-10(8)3;1-2/h11H,4-7H2,1-3H3;1-2H3
InChIKeyASRMRDYLMZCDMK-UHFFFAOYSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-amino-1,3-dimethylpiperidin-3-yl)methanol
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ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol
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(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane
CID 171517392
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
[(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol
CID 170959154
2-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]ethanol
CID 58284059
1,2,4-trimethyl-2-(trifluoromethyl)piperazine
CID 166534974
[3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol
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1,2,4-trimethyl-2-(oxan-4-yl)piperazine
CID 116856567

Frequently Asked Questions

What is the IUPAC name of ethane;(1,2,4-trimethylpiperazin-2-yl)methanol?
The IUPAC name of ethane;(1,2,4-trimethylpiperazin-2-yl)methanol (CID 177010134) is ethane;(1,2,4-trimethylpiperazin-2-yl)methanol.
What is the SMILES notation for ethane;(1,2,4-trimethylpiperazin-2-yl)methanol?
The canonical SMILES for ethane;(1,2,4-trimethylpiperazin-2-yl)methanol is CC.CN1CCN(C)C(C)(CO)C1.
What is the InChIKey of ethane;(1,2,4-trimethylpiperazin-2-yl)methanol?
The InChIKey is ASRMRDYLMZCDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6/c1-8(7-11)6-9(2)4-5-10(8)3;1-2/h11H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;(1,2,4-trimethylpiperazin-2-yl)methanol?
ethane;(1,2,4-trimethylpiperazin-2-yl)methanol has a molecular weight of 188.31 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1,2,4-trimethylpiperazin-2-yl)methanol is sourced from PubChem (CID 177010134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).