methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate

C12H23NO5 — CID 10422764

IUPACmethyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate
SMILESCOCOCC[C@@H]1CCC[C@@H](CO)N1C(=O)OC
InChIInChI=1S/C12H23NO5/c1-16-9-18-7-6-10-4-3-5-11(8-14)13(10)12(15)17-2/h10-11,14H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyJUVLSMCPYXXMCF-QWRGUYRKSA-N
MW261.32 g/mol
LogP0.98
Rot. Bonds6

About methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate

methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate (PubChem CID 10422764) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate
PubChem CID10422764
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Namemethyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate
SMILESCOCOCC[C@@H]1CCC[C@@H](CO)N1C(=O)OC
InChIInChI=1S/C12H23NO5/c1-16-9-18-7-6-10-4-3-5-11(8-14)13(10)12(15)17-2/h10-11,14H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyJUVLSMCPYXXMCF-QWRGUYRKSA-N
XLogP0.98
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 175911487
methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate
CID 10727314
dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate
CID 101061873
methyl (2S,3R,6R)-2-[3-(methoxymethoxy)propyl]-3-methyl-6-pent-4-enylpiperidine-1-carboxylate
CID 10426602
methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate
CID 134856290
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 66261434
methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047
iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 70822306
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 62014539
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate
CID 155694850
methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate
CID 22955198

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate (CID 10422764) is methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate is COCOCC[C@@H]1CCC[C@@H](CO)N1C(=O)OC.
What is the InChIKey of methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is JUVLSMCPYXXMCF-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23NO5/c1-16-9-18-7-6-10-4-3-5-11(8-14)13(10)12(15)17-2/h10-11,14H,3-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate?
methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 10422764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).