ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate

C9H17NO4 — CID 59584750

IUPACethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(OC)CC1
InChIInChI=1S/C9H17NO4/c1-3-14-8(11)9(12)4-6-10(13-2)7-5-9/h12H,3-7H2,1-2H3
InChIKeyAQTGGAUOYQLSGN-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.06
Rot. Bonds3

About ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate

ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate (PubChem CID 59584750) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate
PubChem CID59584750
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(OC)CC1
InChIInChI=1S/C9H17NO4/c1-3-14-8(11)9(12)4-6-10(13-2)7-5-9/h12H,3-7H2,1-2H3
InChIKeyAQTGGAUOYQLSGN-UHFFFAOYSA-N
XLogP-0.06
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
CID 143528155
ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate
CID 136539242
4-amino-1-methoxypiperidine-4-carboxylic acid
CID 59614576
methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate
CID 58427978
ethyl 1-hydroxy-4-(1,2,2-trifluoroethoxy)cyclohexane-1-carboxylate
CID 68763914
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338
ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate
CID 134109409
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
ethyl 3-hydroxyoxane-3-carboxylate
CID 21336917
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate
CID 136528260
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate (CID 59584750) is ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate is CCOC(=O)C1(O)CCN(OC)CC1.
What is the InChIKey of ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate?
The InChIKey is AQTGGAUOYQLSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-14-8(11)9(12)4-6-10(13-2)7-5-9/h12H,3-7H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate?
ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate has a molecular weight of 203.24 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate is sourced from PubChem (CID 59584750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).