methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate

C15H28N2O3 — CID 86800408

IUPACmethyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CCCN2CCCCC2)C[C@@H](C)O1
InChIInChI=1S/C15H28N2O3/c1-13-11-17(12-14(20-13)15(18)19-2)10-6-9-16-7-4-3-5-8-16/h13-14H,3-12H2,1-2H3/t13-,14?/m1/s1
InChIKeyZSENEEDQGKTVBR-KWCCSABGSA-N
MW284.40 g/mol
LogP1.12
Rot. Bonds5

About methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate

methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate (PubChem CID 86800408) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate
PubChem CID86800408
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CCCN2CCCCC2)C[C@@H](C)O1
InChIInChI=1S/C15H28N2O3/c1-13-11-17(12-14(20-13)15(18)19-2)10-6-9-16-7-4-3-5-8-16/h13-14H,3-12H2,1-2H3/t13-,14?/m1/s1
InChIKeyZSENEEDQGKTVBR-KWCCSABGSA-N
XLogP1.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
CID 127003930
methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
CID 97064900
methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate
CID 97064897
methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
CID 97064914
methyl (2S,6R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-6-methylmorpholine-2-carboxylate
CID 97064905
methyl (2R,6R)-6-methyl-4-(2-pyridin-2-ylethyl)morpholine-2-carboxylate
CID 97064912
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
CID 97064939
methyl 4-(azocan-1-yl)butanoate
CID 43377737
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide
CID 97039119
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate?
The IUPAC name of methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate (CID 86800408) is methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate?
The canonical SMILES for methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate is COC(=O)C1CN(CCCN2CCCCC2)C[C@@H](C)O1.
What is the InChIKey of methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate?
The InChIKey is ZSENEEDQGKTVBR-KWCCSABGSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13-11-17(12-14(20-13)15(18)19-2)10-6-9-16-7-4-3-5-8-16/h13-14H,3-12H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate?
methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate is sourced from PubChem (CID 86800408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).