methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate

C11H21NO3 — CID 79038653

IUPACmethyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
SMILESCCOCCN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C11H21NO3/c1-3-15-8-7-12-6-4-5-10(9-12)11(13)14-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyZXWMTZOVWAPCPM-JTQLQIEISA-N
MW215.29 g/mol
LogP0.91
Rot. Bonds5

About methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate

methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate (PubChem CID 79038653) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
PubChem CID79038653
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
SMILESCCOCCN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C11H21NO3/c1-3-15-8-7-12-6-4-5-10(9-12)11(13)14-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyZXWMTZOVWAPCPM-JTQLQIEISA-N
XLogP0.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
methyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
CID 78920654
methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115537485
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
methyl 1-(5-aminopentyl)piperidine-3-carboxylate
CID 115533740
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
CID 79037896
methyl (3S)-1-(3-cyanopropyl)piperidine-3-carboxylate
CID 79038062

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate (CID 79038653) is methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate is CCOCCN1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate?
The InChIKey is ZXWMTZOVWAPCPM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-8-7-12-6-4-5-10(9-12)11(13)14-2/h10H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate?
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate is sourced from PubChem (CID 79038653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).