methyl 4-methylpiperidine-1-carboxylate;4-methyloxane

C14H27NO3 — CID 90741122

IUPACmethyl 4-methylpiperidine-1-carboxylate;4-methyloxane
SMILESCC1CCOCC1.COC(=O)N1CCC(C)CC1
InChIInChI=1S/C8H15NO2.C6H12O/c1-7-3-5-9(6-4-7)8(10)11-2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;6H,2-5H2,1H3
InChIKeyRSKBZTFPHMELOP-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.92
Rot. Bonds

About methyl 4-methylpiperidine-1-carboxylate;4-methyloxane

methyl 4-methylpiperidine-1-carboxylate;4-methyloxane (PubChem CID 90741122) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 4-methylpiperidine-1-carboxylate;4-methyloxane.

Molecular Properties

Compound Namemethyl 4-methylpiperidine-1-carboxylate;4-methyloxane
PubChem CID90741122
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 4-methylpiperidine-1-carboxylate;4-methyloxane
SMILESCC1CCOCC1.COC(=O)N1CCC(C)CC1
InChIInChI=1S/C8H15NO2.C6H12O/c1-7-3-5-9(6-4-7)8(10)11-2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;6H,2-5H2,1H3
InChIKeyRSKBZTFPHMELOP-UHFFFAOYSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methylazocane-1-carboxylate
CID 91583832
methyl morpholine-4-carboxylate
CID 12575354
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 108913044
sulfanyl 4-methylpiperidine-1-carboxylate
CID 89011806
methyl 4-bromopiperidine-1-carboxylate
CID 174906499
tetramethyl 4,7-dioxa-1,10,13,16,21,24-hexazabicyclo[8.8.8]hexacosane-13,16,21,24-tetracarboxylate
CID 21316321
dimethyl 4,7,13,16-tetraoxa-1,10,21,24-tetrazabicyclo[8.8.8]hexacosane-21,24-dicarboxylate
CID 21316288
CID 123981313
CID 123981313
4-methyl-N-[1-(oxan-4-yl)ethyl]piperidine-1-carboxamide
CID 113258503
methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 42842351
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693

Frequently Asked Questions

What is the IUPAC name of methyl 4-methylpiperidine-1-carboxylate;4-methyloxane?
The IUPAC name of methyl 4-methylpiperidine-1-carboxylate;4-methyloxane (CID 90741122) is methyl 4-methylpiperidine-1-carboxylate;4-methyloxane.
What is the SMILES notation for methyl 4-methylpiperidine-1-carboxylate;4-methyloxane?
The canonical SMILES for methyl 4-methylpiperidine-1-carboxylate;4-methyloxane is CC1CCOCC1.COC(=O)N1CCC(C)CC1.
What is the InChIKey of methyl 4-methylpiperidine-1-carboxylate;4-methyloxane?
The InChIKey is RSKBZTFPHMELOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C6H12O/c1-7-3-5-9(6-4-7)8(10)11-2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;6H,2-5H2,1H3.
What are the key properties of methyl 4-methylpiperidine-1-carboxylate;4-methyloxane?
methyl 4-methylpiperidine-1-carboxylate;4-methyloxane has a molecular weight of 257.37 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylpiperidine-1-carboxylate;4-methyloxane is sourced from PubChem (CID 90741122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).