dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate

C19H27NO5 — CID 101274504

IUPACdimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate
SMILESCOC(=O)[C@@]1(C)CCC[C@](C)(C(=O)OC)N1OC(C)c1ccccc1
InChIInChI=1S/C19H27NO5/c1-14(15-10-7-6-8-11-15)25-20-18(2,16(21)23-4)12-9-13-19(20,3)17(22)24-5/h6-8,10-11,14H,9,12-13H2,1-5H3/t14?,18-,19-/m1/s1
InChIKeyXPIPXFUOPKGNAB-JDBFWQQPSA-N
MW349.43 g/mol
LogP3.03
Rot. Bonds5

About dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate

dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate (PubChem CID 101274504) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate
PubChem CID101274504
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Namedimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate
SMILESCOC(=O)[C@@]1(C)CCC[C@](C)(C(=O)OC)N1OC(C)c1ccccc1
InChIInChI=1S/C19H27NO5/c1-14(15-10-7-6-8-11-15)25-20-18(2,16(21)23-4)12-9-13-19(20,3)17(22)24-5/h6-8,10-11,14H,9,12-13H2,1-5H3/t14?,18-,19-/m1/s1
InChIKeyXPIPXFUOPKGNAB-JDBFWQQPSA-N
XLogP3.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dicarboxylate
CID 10615591
dimethyl 8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-1,5-dicarboxylate
CID 101492863
2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine
CID 71391438
1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate
CID 158307203
2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine
CID 154573678
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
CID 10494793
2,2,6,6-tetramethyl-4-nitroso-1-(1-phenylethoxy)piperidine
CID 91502421
formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 142146379
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 106820599
1-phenylethyl 1-aminocycloheptane-1-carboxylate
CID 61279460
4-O-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] 1-O-methyl but-2-enedioate
CID 69411574

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate?
The IUPAC name of dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate (CID 101274504) is dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate?
The canonical SMILES for dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate is COC(=O)[C@@]1(C)CCC[C@](C)(C(=O)OC)N1OC(C)c1ccccc1.
What is the InChIKey of dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate?
The InChIKey is XPIPXFUOPKGNAB-JDBFWQQPSA-N. The full InChI is InChI=1S/C19H27NO5/c1-14(15-10-7-6-8-11-15)25-20-18(2,16(21)23-4)12-9-13-19(20,3)17(22)24-5/h6-8,10-11,14H,9,12-13H2,1-5H3/t14?,18-,19-/m1/s1.
What are the key properties of dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate?
dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate has a molecular weight of 349.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate is sourced from PubChem (CID 101274504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).