ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen

C11H23NO2 — CID 144506743

IUPACethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen
SMILESCCC[C@@H]1CCCNC1C(=O)OCC.[H][H]
InChIInChI=1S/C11H21NO2.H2/c1-3-6-9-7-5-8-12-10(9)11(13)14-4-2;/h9-10,12H,3-8H2,1-2H3;1H/t9-,10?;/m1./s1
InChIKeyZTIOLAGEUQSXNV-UVUXOWFKSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds4

About ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen

ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen (PubChem CID 144506743) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen
PubChem CID144506743
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen
SMILESCCC[C@@H]1CCCNC1C(=O)OCC.[H][H]
InChIInChI=1S/C11H21NO2.H2/c1-3-6-9-7-5-8-12-10(9)11(13)14-4-2;/h9-10,12H,3-8H2,1-2H3;1H/t9-,10?;/m1./s1
InChIKeyZTIOLAGEUQSXNV-UVUXOWFKSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-ethylpiperidine-2-carboxylate
CID 144594238
ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate
CID 14334512
diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
CID 99768949
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
3-propylpyrrolidine-2-carboxylic acid
CID 14482017
3-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 14482018
ethyl (4R)-4-propylpiperidine-3-carboxylate
CID 121479190
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
ethyl (3S,3aS,6R,6aR)-6-amino-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
CID 178194779
ethyl 2-pyrrolidin-2-ylpropanoate
CID 12896133
ethyl (2R,3S)-2-(trifluoromethyl)piperidine-3-carboxylate
CID 178202342
ethyl 2-(trifluoromethyl)piperidine-3-carboxylate
CID 167740176

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen?
The IUPAC name of ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen (CID 144506743) is ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen.
What is the SMILES notation for ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen?
The canonical SMILES for ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen is CCC[C@@H]1CCCNC1C(=O)OCC.[H][H].
What is the InChIKey of ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen?
The InChIKey is ZTIOLAGEUQSXNV-UVUXOWFKSA-N. The full InChI is InChI=1S/C11H21NO2.H2/c1-3-6-9-7-5-8-12-10(9)11(13)14-4-2;/h9-10,12H,3-8H2,1-2H3;1H/t9-,10?;/m1./s1.
What are the key properties of ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen?
ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen has a molecular weight of 201.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen is sourced from PubChem (CID 144506743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).