methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate

C13H26N2O3 — CID 113436629

IUPACmethyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate
SMILESCCN(CC1CCNCC1)CC(C)(O)C(=O)OC
InChIInChI=1S/C13H26N2O3/c1-4-15(9-11-5-7-14-8-6-11)10-13(2,17)12(16)18-3/h11,14,17H,4-10H2,1-3H3
InChIKeyCLUSJIYEMWEGOQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.23
Rot. Bonds6

About methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate

methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate (PubChem CID 113436629) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate
PubChem CID113436629
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate
SMILESCCN(CC1CCNCC1)CC(C)(O)C(=O)OC
InChIInChI=1S/C13H26N2O3/c1-4-15(9-11-5-7-14-8-6-11)10-13(2,17)12(16)18-3/h11,14,17H,4-10H2,1-3H3
InChIKeyCLUSJIYEMWEGOQ-UHFFFAOYSA-N
XLogP0.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 79716731
methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate
CID 63956092
N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119930511
2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716882
2-[ethyl(piperidin-4-ylmethyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 79717044
methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate
CID 106617435
2-[ethyl(piperidin-4-ylmethyl)amino]-N-propylacetamide
CID 79716409
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079
methyl 3-(diethylamino)-2,2-dimethylpropanoate
CID 79623821
1-[ethyl(piperidin-4-ylmethyl)amino]-3-methoxypropan-2-ol
CID 79716413
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040
2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 106728026

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate (CID 113436629) is methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate is CCN(CC1CCNCC1)CC(C)(O)C(=O)OC.
What is the InChIKey of methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate?
The InChIKey is CLUSJIYEMWEGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-15(9-11-5-7-14-8-6-11)10-13(2,17)12(16)18-3/h11,14,17H,4-10H2,1-3H3.
What are the key properties of methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate?
methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate has a molecular weight of 258.36 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 113436629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).