[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate

C18H27NO4 — CID 174815191

IUPAC[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCCOc1ccccc1O[C@@H]1CCCN(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C18H27NO4/c1-5-21-15-10-6-7-11-16(15)22-14-9-8-12-19(13-14)23-17(20)18(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3/t14-/m1/s1
InChIKeyAZJHYJAGRBYSLK-CQSZACIVSA-N
MW321.42 g/mol
LogP3.43
Rot. Bonds5

About [(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate

[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174815191) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is [(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174815191
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCCOc1ccccc1O[C@@H]1CCCN(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C18H27NO4/c1-5-21-15-10-6-7-11-16(15)22-14-9-8-12-19(13-14)23-17(20)18(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3/t14-/m1/s1
InChIKeyAZJHYJAGRBYSLK-CQSZACIVSA-N
XLogP3.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174815267
[(3S)-3-(5-methyl-2-nitrophenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174680638
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide
CID 156541554
[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174881651
1-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 156541117
4-[[[2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]benzoic acid
CID 118366214
2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]benzoic acid
CID 156541338
2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine
CID 156541290
4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]benzoic acid
CID 156541501
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide
CID 156541629
2-[3-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]-2-methylpropanoic acid
CID 156540890
bis[(3S)-3-[(2-ethoxyphenoxy)-phenylmethyl]piperidin-1-yl] (E)-but-2-enedioate
CID 68596603

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174815191) is [(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate is CCOc1ccccc1O[C@@H]1CCCN(OC(=O)C(C)(C)C)C1.
What is the InChIKey of [(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is AZJHYJAGRBYSLK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27NO4/c1-5-21-15-10-6-7-11-16(15)22-14-9-8-12-19(13-14)23-17(20)18(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 321.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174815191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).