3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol

C30H62N4O5 — CID 159053945

IUPAC3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol
SMILESCN1CCCC(CO)C1.COC(=O)C1CCCN(C)C1.COCC1CCCN(C)C1.COCC1CCCNC1
InChIInChI=1S/C8H15NO2.C8H17NO.2C7H15NO/c1-9-5-3-4-7(6-9)8(10)11-2;1-9-5-3-4-8(6-9)7-10-2;1-9-6-7-3-2-4-8-5-7;1-8-4-2-3-7(5-8)6-9/h7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,2-6H2,1H3;7,9H,2-6H2,1H3
InChIKeyJXPXCUGAIZPZKL-UHFFFAOYSA-N
MW558.85 g/mol
LogP2.43
Rot. Bonds6

About 3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol

3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol (PubChem CID 159053945) has the molecular formula C30H62N4O5 and a molecular weight of 558.85 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol
PubChem CID159053945
Molecular FormulaC30H62N4O5
Molecular Weight558.85 g/mol
Exact Mass558.47
IUPAC Name3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol
SMILESCN1CCCC(CO)C1.COC(=O)C1CCCN(C)C1.COCC1CCCN(C)C1.COCC1CCCNC1
InChIInChI=1S/C8H15NO2.C8H17NO.2C7H15NO/c1-9-5-3-4-7(6-9)8(10)11-2;1-9-5-3-4-8(6-9)7-10-2;1-9-6-7-3-2-4-8-5-7;1-8-4-2-3-7(5-8)6-9/h7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,2-6H2,1H3;7,9H,2-6H2,1H3
InChIKeyJXPXCUGAIZPZKL-UHFFFAOYSA-N
XLogP2.43
TPSA86.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.85
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
CID 141098708
CID 157322417
CID 157322417
1-O-tert-butyl 3-O-ethyl 4-piperidin-1-ylpiperidine-1,3-dicarboxylate;(4-piperidin-1-ylpiperidin-3-yl)methanol
CID 159252689
CID 159571305
CID 159571305
deuterio(fluoro)methane;(3S)-1-methylpiperidine-3-carboxylic acid;1-[(3S)-1-methylpiperidin-3-yl]ethanone;piperidine-3-carboxylic acid;(3S)-piperidine-3-carboxylic acid
CID 161094911
CID 161684337
CID 161684337
Ethyl piperidine-3-carboxylate;1-ethylpiperidine-3-carboxylic acid
CID 162213020
ethyl (3S)-piperidine-3-carboxylate;(3S)-1-ethylpiperidine-3-carboxylic acid
CID 162213021

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol?
The IUPAC name of 3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol (CID 159053945) is 3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol.
What is the SMILES notation for 3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol?
The canonical SMILES for 3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol is CN1CCCC(CO)C1.COC(=O)C1CCCN(C)C1.COCC1CCCN(C)C1.COCC1CCCNC1.
What is the InChIKey of 3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol?
The InChIKey is JXPXCUGAIZPZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C8H17NO.2C7H15NO/c1-9-5-3-4-7(6-9)8(10)11-2;1-9-5-3-4-8(6-9)7-10-2;1-9-6-7-3-2-4-8-5-7;1-8-4-2-3-7(5-8)6-9/h7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,2-6H2,1H3;7,9H,2-6H2,1H3.
What are the key properties of 3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol?
3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol has a molecular weight of 558.85 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methylpiperidine;3-(methoxymethyl)piperidine;methyl 1-methylpiperidine-3-carboxylate;(1-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 159053945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).