2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate

C10H19NO4 — CID 107395946

IUPAC2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate
SMILESCOC1(C)CCCN(C(=O)OCCO)C1
InChIInChI=1S/C10H19NO4/c1-10(14-2)4-3-5-11(8-10)9(13)15-7-6-12/h12H,3-8H2,1-2H3
InChIKeyWCCGAVBDZMVOBV-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.62
Rot. Bonds3

About 2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate

2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate (PubChem CID 107395946) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate
PubChem CID107395946
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate
SMILESCOC1(C)CCCN(C(=O)OCCO)C1
InChIInChI=1S/C10H19NO4/c1-10(14-2)4-3-5-11(8-10)9(13)15-7-6-12/h12H,3-8H2,1-2H3
InChIKeyWCCGAVBDZMVOBV-UHFFFAOYSA-N
XLogP0.62
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate
CID 79349145
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
2-hydroxyethyl 4,4-dimethylazepane-1-carboxylate
CID 79349080
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
1-(3-methoxy-3-methylpiperidin-1-yl)prop-2-en-1-one
CID 107390999
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
4-amino-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107392361
N'-ethyl-3-methoxy-3-methylpiperidine-1-carboximidamide
CID 107393146
2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395949
2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107391572
5-chloro-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107390996

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate (CID 107395946) is 2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate is COC1(C)CCCN(C(=O)OCCO)C1.
What is the InChIKey of 2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate?
The InChIKey is WCCGAVBDZMVOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(14-2)4-3-5-11(8-10)9(13)15-7-6-12/h12H,3-8H2,1-2H3.
What are the key properties of 2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate?
2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate has a molecular weight of 217.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 107395946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).