dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate

C17H31NO5 — CID 24773540

IUPACdimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate
SMILESCCCC[C@H]1N[C@H](CCCC)C(C(=O)OC)C(O)C1C(=O)OC
InChIInChI=1S/C17H31NO5/c1-5-7-9-11-13(16(20)22-3)15(19)14(17(21)23-4)12(18-11)10-8-6-2/h11-15,18-19H,5-10H2,1-4H3/t11-,12-,13?,14?,15?/m1/s1
InChIKeyGTEHKMWVFGPASX-ILDWOOSOSA-N
MW329.44 g/mol
LogP1.65
Rot. Bonds8

About dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate

dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate (PubChem CID 24773540) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate
PubChem CID24773540
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Namedimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate
SMILESCCCC[C@H]1N[C@H](CCCC)C(C(=O)OC)C(O)C1C(=O)OC
InChIInChI=1S/C17H31NO5/c1-5-7-9-11-13(16(20)22-3)15(19)14(17(21)23-4)12(18-11)10-8-6-2/h11-15,18-19H,5-10H2,1-4H3/t11-,12-,13?,14?,15?/m1/s1
InChIKeyGTEHKMWVFGPASX-ILDWOOSOSA-N
XLogP1.65
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R,3S)-3-propylaziridine-2-carboxylate
CID 15249125
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CID 22867730
dimethyl (1S,2R,3R)-3-butylcyclohex-4-ene-1,2-dicarboxylate
CID 117062089
methyl 2-butyl-5-oxocyclopentane-1-carboxylate
CID 71412365
(4R,5S)-5-butyl-4-methylpyrrolidine-2-carboxylic acid
CID 70317772
(2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol
CID 52939397
methyl 8-[3-(2-hydroxyoctyl)aziridin-2-yl]octanoate
CID 85152466
ethyl (2S,3S,6R)-2-(3-hydroxypropyl)-6-pentylpiperidine-3-carboxylate
CID 11335133
trans-methyl (1R,2S)-2-hexylcyclopropane-1-carboxylate
CID 12509721
methyl (2R,3R)-3-octyloxirane-2-carboxylate
CID 134894079
dimethyl (4R,5R)-2-nonyl-1,3-dioxolane-4,5-dicarboxylate
CID 14992896
methyl (2R,3S,6R)-2-butyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 11148550

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate?
The IUPAC name of dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate (CID 24773540) is dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate?
The canonical SMILES for dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate is CCCC[C@H]1N[C@H](CCCC)C(C(=O)OC)C(O)C1C(=O)OC.
What is the InChIKey of dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate?
The InChIKey is GTEHKMWVFGPASX-ILDWOOSOSA-N. The full InChI is InChI=1S/C17H31NO5/c1-5-7-9-11-13(16(20)22-3)15(19)14(17(21)23-4)12(18-11)10-8-6-2/h11-15,18-19H,5-10H2,1-4H3/t11-,12-,13?,14?,15?/m1/s1.
What are the key properties of dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate?
dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate has a molecular weight of 329.44 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate is sourced from PubChem (CID 24773540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).