dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate

C10H17NO5 — CID 91293083

IUPACdimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate
SMILESCOC(=O)C1CC(CO)CC(C(=O)OC)N1
InChIInChI=1S/C10H17NO5/c1-15-9(13)7-3-6(5-12)4-8(11-7)10(14)16-2/h6-8,11-12H,3-5H2,1-2H3
InChIKeyYRTQGHCWWVEXOR-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.94
Rot. Bonds3

About dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate

dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate (PubChem CID 91293083) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate
PubChem CID91293083
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namedimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate
SMILESCOC(=O)C1CC(CO)CC(C(=O)OC)N1
InChIInChI=1S/C10H17NO5/c1-15-9(13)7-3-6(5-12)4-8(11-7)10(14)16-2/h6-8,11-12H,3-5H2,1-2H3
InChIKeyYRTQGHCWWVEXOR-UHFFFAOYSA-N
XLogP-0.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-{[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino}propanoic acid
CID 21037721
2-{[(Tert-butoxy)carbonyl]amino}-3-(oxan-3-yl)propanoic acid
CID 64142408
Dimethyl cis-4-hydroxymethylpiperidine-2,6-dicarboxylate
CID 91294991
4-[3-(2-Fluoroethoxy)propyl]piperidine-2-carboxylic acid
CID 18446259
4-[3-(3-Fluoropropoxy)propyl]piperidine-2-carboxylic acid
CID 18446260
4-(3-Fluoropropoxymethyl)piperidine-2-carboxylic acid
CID 18446264
cis-4-Methoxycarbonyl-2-piperidinecarboxylic acid
CID 13353754
tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate
CID 135057141
ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate
CID 10465068
(2r)-2-Cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]ethanoic acid
CID 11447897
4-Methoxycarbonylpiperidine-2-carboxylic acid
CID 13353753
2,4-Dimethyl piperidine-2,4-dicarboxylate
CID 13413091

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate?
The IUPAC name of dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate (CID 91293083) is dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate is COC(=O)C1CC(CO)CC(C(=O)OC)N1.
What is the InChIKey of dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate?
The InChIKey is YRTQGHCWWVEXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-15-9(13)7-3-6(5-12)4-8(11-7)10(14)16-2/h6-8,11-12H,3-5H2,1-2H3.
What are the key properties of dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate?
dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate has a molecular weight of 231.25 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate is sourced from PubChem (CID 91293083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).