ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate

C11H23NO3 — CID 164564582

IUPACethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
SMILESCC.COC(=O)N1CCC(OC)CC1C
InChIInChI=1S/C9H17NO3.C2H6/c1-7-6-8(12-2)4-5-10(7)9(11)13-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyFZUOCQIXMDEQRG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.28
Rot. Bonds1

About ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate

ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate (PubChem CID 164564582) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
PubChem CID164564582
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
SMILESCC.COC(=O)N1CCC(OC)CC1C
InChIInChI=1S/C9H17NO3.C2H6/c1-7-6-8(12-2)4-5-10(7)9(11)13-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyFZUOCQIXMDEQRG-UHFFFAOYSA-N
XLogP2.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,4-dimethylpiperidine-1-carboxylate
CID 115643665
methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
CID 145048176
1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 114221624
3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 114221407
3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114220970
(4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 114220982
(2-hydroxyphenyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone
CID 114221152
methyl 2-methoxyazetidine-1-carboxylate
CID 139914058
tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate
CID 126842158
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
CID 114220995
(2R,4R)-1-chloro-4-methoxy-2-methylpiperidine
CID 118569724
methyl 4-(3-ethoxy-3-oxopropanoyl)-2-methylpiperidine-1-carboxylate
CID 66731991

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate?
The IUPAC name of ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate (CID 164564582) is ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate?
The canonical SMILES for ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate is CC.COC(=O)N1CCC(OC)CC1C.
What is the InChIKey of ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate?
The InChIKey is FZUOCQIXMDEQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C2H6/c1-7-6-8(12-2)4-5-10(7)9(11)13-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate?
ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate has a molecular weight of 217.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 164564582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).