dimethyl (3R,5R)-piperidine-3,5-dicarboxylate

C9H15NO4 — CID 69137212

IUPACdimethyl (3R,5R)-piperidine-3,5-dicarboxylate
SMILESCOC(=O)[C@H]1CNC[C@H](C(=O)OC)C1
InChIInChI=1S/C9H15NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyFOEXRJBHOCBGFH-RNFRBKRXSA-N
MW201.22 g/mol
LogP-0.44
Rot. Bonds2

About dimethyl (3R,5R)-piperidine-3,5-dicarboxylate

dimethyl (3R,5R)-piperidine-3,5-dicarboxylate (PubChem CID 69137212) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is dimethyl (3R,5R)-piperidine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R,5R)-piperidine-3,5-dicarboxylate
PubChem CID69137212
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namedimethyl (3R,5R)-piperidine-3,5-dicarboxylate
SMILESCOC(=O)[C@H]1CNC[C@H](C(=O)OC)C1
InChIInChI=1S/C9H15NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyFOEXRJBHOCBGFH-RNFRBKRXSA-N
XLogP-0.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-5-methylpiperidine-3-carboxylate
CID 178133263
methyl 5-methylpiperidine-3-carboxylate;hydrochloride
CID 75464874
methyl (3S,5S)-5-methoxypiperidine-3-carboxylate
CID 124509731
methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride
CID 167994766
methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate
CID 124547363
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 154814550
methyl pyrrolidine-3-carboxylate
CID 4114360
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
diethyl (3S,5R)-piperidine-3,5-dicarboxylate
CID 66523120
methyl 5-phenylpiperidine-3-carboxylate;hydrochloride
CID 91798805
1-O-tert-butyl 3-O,5-O-dimethyl (3S,5S)-piperidine-1,3,5-tricarboxylate;1-O-tert-butyl 3-O,5-O-dimethyl (3R,5S)-piperidine-1,3,5-tricarboxylate;dichloromethane;dimethyl piperidine-3,5-dicarboxylate
CID 158619539
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R,5R)-piperidine-3,5-dicarboxylate?
The IUPAC name of dimethyl (3R,5R)-piperidine-3,5-dicarboxylate (CID 69137212) is dimethyl (3R,5R)-piperidine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl (3R,5R)-piperidine-3,5-dicarboxylate?
The canonical SMILES for dimethyl (3R,5R)-piperidine-3,5-dicarboxylate is COC(=O)[C@H]1CNC[C@H](C(=O)OC)C1.
What is the InChIKey of dimethyl (3R,5R)-piperidine-3,5-dicarboxylate?
The InChIKey is FOEXRJBHOCBGFH-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of dimethyl (3R,5R)-piperidine-3,5-dicarboxylate?
dimethyl (3R,5R)-piperidine-3,5-dicarboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R,5R)-piperidine-3,5-dicarboxylate is sourced from PubChem (CID 69137212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).