methyl (3S,5S)-5-methoxypiperidine-3-carboxylate

C8H15NO3 — CID 124509731

IUPACmethyl (3S,5S)-5-methoxypiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CNC[C@@H](OC)C1
InChIInChI=1S/C8H15NO3/c1-11-7-3-6(4-9-5-7)8(10)12-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyBPBNOXOFPXLREH-BQBZGAKWSA-N
MW173.21 g/mol
LogP-0.22
Rot. Bonds2

About methyl (3S,5S)-5-methoxypiperidine-3-carboxylate

methyl (3S,5S)-5-methoxypiperidine-3-carboxylate (PubChem CID 124509731) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl (3S,5S)-5-methoxypiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,5S)-5-methoxypiperidine-3-carboxylate
PubChem CID124509731
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl (3S,5S)-5-methoxypiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CNC[C@@H](OC)C1
InChIInChI=1S/C8H15NO3/c1-11-7-3-6(4-9-5-7)8(10)12-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyBPBNOXOFPXLREH-BQBZGAKWSA-N
XLogP-0.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
methyl (3R)-5-methylpiperidine-3-carboxylate
CID 178133263
methyl 5-methylpiperidine-3-carboxylate;hydrochloride
CID 75464874
methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride
CID 167994766
methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate
CID 124547363
(3R,5R)-5-methoxypiperidin-3-ol;hydrochloride
CID 138991486
methyl 5-phenylpiperidine-3-carboxylate;hydrochloride
CID 91798805
methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 154814550
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798796

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5S)-5-methoxypiperidine-3-carboxylate?
The IUPAC name of methyl (3S,5S)-5-methoxypiperidine-3-carboxylate (CID 124509731) is methyl (3S,5S)-5-methoxypiperidine-3-carboxylate.
What is the SMILES notation for methyl (3S,5S)-5-methoxypiperidine-3-carboxylate?
The canonical SMILES for methyl (3S,5S)-5-methoxypiperidine-3-carboxylate is COC(=O)[C@@H]1CNC[C@@H](OC)C1.
What is the InChIKey of methyl (3S,5S)-5-methoxypiperidine-3-carboxylate?
The InChIKey is BPBNOXOFPXLREH-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-7-3-6(4-9-5-7)8(10)12-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of methyl (3S,5S)-5-methoxypiperidine-3-carboxylate?
methyl (3S,5S)-5-methoxypiperidine-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5S)-5-methoxypiperidine-3-carboxylate is sourced from PubChem (CID 124509731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).