methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate

C13H24N2O3 — CID 79037896

IUPACmethyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(CCN2CCOCC2)C1
InChIInChI=1S/C13H24N2O3/c1-17-13(16)12-3-2-4-15(11-12)6-5-14-7-9-18-10-8-14/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyAJADUCLMKRURKG-LBPRGKRZSA-N
MW256.35 g/mol
LogP0.20
Rot. Bonds4

About methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate

methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate (PubChem CID 79037896) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
PubChem CID79037896
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(CCN2CCOCC2)C1
InChIInChI=1S/C13H24N2O3/c1-17-13(16)12-3-2-4-15(11-12)6-5-14-7-9-18-10-8-14/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyAJADUCLMKRURKG-LBPRGKRZSA-N
XLogP0.20
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
methyl (3S)-1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 104926803
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
methyl 1-(5-aminopentyl)piperidine-3-carboxylate
CID 115533740
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
CID 79038653
methyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
CID 78920654
methyl (3S)-1-(3-cyanopropyl)piperidine-3-carboxylate
CID 79038062
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
ethane;methyl 1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidine-3-carboxylate
CID 144839973

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate (CID 79037896) is methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(CCN2CCOCC2)C1.
What is the InChIKey of methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate?
The InChIKey is AJADUCLMKRURKG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-17-13(16)12-3-2-4-15(11-12)6-5-14-7-9-18-10-8-14/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate?
methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate is sourced from PubChem (CID 79037896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).