methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate

C12H22N2O3 — CID 66978618

IUPACmethyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(CN2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-16-12(15)10-2-3-13-11(8-10)9-14-4-6-17-7-5-14/h10-11,13H,2-9H2,1H3
InChIKeyDGMCSUSCCSRTAI-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.14
Rot. Bonds3

About methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate

methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate (PubChem CID 66978618) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate
PubChem CID66978618
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(CN2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-16-12(15)10-2-3-13-11(8-10)9-14-4-6-17-7-5-14/h10-11,13H,2-9H2,1H3
InChIKeyDGMCSUSCCSRTAI-UHFFFAOYSA-N
XLogP-0.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(morpholin-4-ylmethyl)piperidine-4-carboxylic acid
CID 123313424
4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
4-[(4-methoxypyrrolidin-2-yl)methyl]morpholine
CID 61214671
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
CID 79037896
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120637820
methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
methyl 1-(oxan-4-ylmethyl)pyrrolidine-3-carboxylate
CID 78957764
dimethyl 2-[(3,5-difluorophenyl)methyl]piperidine-1,4-dicarboxylate;methyl 2-[(3,5-difluorophenyl)methyl]piperidine-4-carboxylate
CID 160853085
ethane;methyl 1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidine-3-carboxylate
CID 144839973
cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate
CID 99785632

Frequently Asked Questions

What is the IUPAC name of methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate (CID 66978618) is methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate is COC(=O)C1CCNC(CN2CCOCC2)C1.
What is the InChIKey of methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate?
The InChIKey is DGMCSUSCCSRTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-12(15)10-2-3-13-11(8-10)9-14-4-6-17-7-5-14/h10-11,13H,2-9H2,1H3.
What are the key properties of methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate?
methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate has a molecular weight of 242.32 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(morpholin-4-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 66978618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).