methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate

C11H21NO4 — CID 82851116

IUPACmethyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(O)CO
InChIInChI=1S/C11H21NO4/c1-16-11(15)6-9-4-2-3-5-12(9)7-10(14)8-13/h9-10,13-14H,2-8H2,1H3
InChIKeyYRBULCMUTJKFJU-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.24
Rot. Bonds5

About methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate

methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate (PubChem CID 82851116) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
PubChem CID82851116
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(O)CO
InChIInChI=1S/C11H21NO4/c1-16-11(15)6-9-4-2-3-5-12(9)7-10(14)8-13/h9-10,13-14H,2-8H2,1H3
InChIKeyYRBULCMUTJKFJU-UHFFFAOYSA-N
XLogP-0.24
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
1-[1-(2,3-dihydroxypropyl)azepan-2-yl]propan-2-one
CID 82851054
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
CID 121006441
3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol
CID 82844673
methyl 2-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 62028286
methyl 2-[1-(4-cyanobutyl)piperidin-2-yl]acetate
CID 62028480
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896
methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
CID 62028861
methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 61360608
methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
CID 62027718
CID 87065582
CID 87065582
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate (CID 82851116) is methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CC(O)CO.
What is the InChIKey of methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate?
The InChIKey is YRBULCMUTJKFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-16-11(15)6-9-4-2-3-5-12(9)7-10(14)8-13/h9-10,13-14H,2-8H2,1H3.
What are the key properties of methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate?
methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate has a molecular weight of 231.29 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate is sourced from PubChem (CID 82851116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).