methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate

C9H17NO4 — CID 58427978

IUPACmethyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate
SMILESCOC(=O)C1(CO)CCN(OC)CC1
InChIInChI=1S/C9H17NO4/c1-13-8(12)9(7-11)3-5-10(14-2)6-4-9/h11H,3-7H2,1-2H3
InChIKeyJFBRBAHORHLRRA-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.20
Rot. Bonds3

About methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate

methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate (PubChem CID 58427978) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate
PubChem CID58427978
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate
SMILESCOC(=O)C1(CO)CCN(OC)CC1
InChIInChI=1S/C9H17NO4/c1-13-8(12)9(7-11)3-5-10(14-2)6-4-9/h11H,3-7H2,1-2H3
InChIKeyJFBRBAHORHLRRA-UHFFFAOYSA-N
XLogP-0.20
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 ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-tert-butyl-1-(hydroxymethyl)cyclohexane-1-carboxylate
CID 118380454
methyl 5-(hydroxymethyl)spiro[2.3]hexane-5-carboxylate
CID 115013730
methyl 1-(hydroxymethyl)-3,3-dimethylcyclobutane-1-carboxylate
CID 115013996
4-amino-1-methoxypiperidine-4-carboxylic acid
CID 59614576
4-(2-chloroethyl)-4-methoxycarbonylpiperidine-1-carboxylic acid
CID 69179288
ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate
CID 59584750
methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate
CID 116929765
4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid
CID 71118297
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
methyl 4-(2-chloro-6-methylpyrimidin-4-yl)-1-(hydroxymethyl)cyclohexane-1-carboxylate
CID 129088608
dimethyl 3,5,6,7,8,8a-hexahydro-2H-indolizine-1,1-dicarboxylate
CID 102082195
tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate
CID 97041552

Frequently Asked Questions

What is the IUPAC name of methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate?
The IUPAC name of methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate (CID 58427978) is methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate is COC(=O)C1(CO)CCN(OC)CC1.
What is the InChIKey of methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate?
The InChIKey is JFBRBAHORHLRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-13-8(12)9(7-11)3-5-10(14-2)6-4-9/h11H,3-7H2,1-2H3.
What are the key properties of methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate?
methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate has a molecular weight of 203.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate is sourced from PubChem (CID 58427978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).