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

C10H17NO5 — CID 91294991

IUPACdimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate
SMILESCOC(=O)[C@@H]1CC(CO)C[C@H](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/t6?,7-,8+
InChIKeyYRTQGHCWWVEXOR-IEESLHIDSA-N
MW231.25 g/mol
LogP-0.94
Rot. Bonds3

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

dimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate (PubChem CID 91294991) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is dimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate
PubChem CID91294991
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namedimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate
SMILESCOC(=O)[C@@H]1CC(CO)C[C@H](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/t6?,7-,8+
InChIKeyYRTQGHCWWVEXOR-IEESLHIDSA-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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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate?
The IUPAC name of dimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate (CID 91294991) is dimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate?
The canonical SMILES for dimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate is COC(=O)[C@@H]1CC(CO)C[C@H](C(=O)OC)N1.
What is the InChIKey of dimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate?
The InChIKey is YRTQGHCWWVEXOR-IEESLHIDSA-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/t6?,7-,8+.
What are the key properties of dimethyl (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate?
dimethyl (2R,6S)-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 (2R,6S)-4-(hydroxymethyl)piperidine-2,6-dicarboxylate is sourced from PubChem (CID 91294991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).