2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol

C11H24N2O2 — CID 115927628

IUPAC2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)NC1CCN(C)CC1
InChIInChI=1S/C11H24N2O2/c1-3-11(8-14,9-15)12-10-4-6-13(2)7-5-10/h10,12,14-15H,3-9H2,1-2H3
InChIKeyNPXWEJMSQUNPTD-UHFFFAOYSA-N
MW216.32 g/mol
LogP-0.20
Rot. Bonds5

About 2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol

2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol (PubChem CID 115927628) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol
PubChem CID115927628
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)NC1CCN(C)CC1
InChIInChI=1S/C11H24N2O2/c1-3-11(8-14,9-15)12-10-4-6-13(2)7-5-10/h10,12,14-15H,3-9H2,1-2H3
InChIKeyNPXWEJMSQUNPTD-UHFFFAOYSA-N
XLogP-0.20
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
2-ethyl-2-(thian-4-ylamino)propane-1,3-diol
CID 115924302
1-methyl-N-(3-methylpentan-3-yl)piperidin-4-amine
CID 115920386
2-[(1,1-dioxothian-4-yl)amino]-2-ethylbutan-1-ol
CID 62519087
2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
CID 103904654
2-[(4-tert-butylcycloheptyl)amino]-2-ethylpropane-1,3-diol
CID 103933708
2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol
CID 115924310
2-(cyclopropylamino)-2-ethyl-5-(2-methylpiperidin-1-yl)pentan-1-ol
CID 106809062
2-(cyclopropylamino)-2-ethyl-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 106808663
2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol
CID 107864835
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol
CID 103935645
2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
CID 106808854

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol (CID 115927628) is 2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol is CCC(CO)(CO)NC1CCN(C)CC1.
What is the InChIKey of 2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol?
The InChIKey is NPXWEJMSQUNPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-11(8-14,9-15)12-10-4-6-13(2)7-5-10/h10,12,14-15H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol?
2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol has a molecular weight of 216.32 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 115927628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).