methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate

C9H17NO3 — CID 115269670

IUPACmethyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(O)C(C)(C)C1
InChIInChI=1S/C9H17NO3/c1-9(2)6-10(8(12)13-3)5-4-7(9)11/h7,11H,4-6H2,1-3H3
InChIKeySRNYPKYJJFXIAB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.85
Rot. Bonds

About methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate

methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 115269670) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
PubChem CID115269670
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(O)C(C)(C)C1
InChIInChI=1S/C9H17NO3/c1-9(2)6-10(8(12)13-3)5-4-7(9)11/h7,11H,4-6H2,1-3H3
InChIKeySRNYPKYJJFXIAB-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate (CID 115269670) is methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate is COC(=O)N1CCC(O)C(C)(C)C1.
What is the InChIKey of methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is SRNYPKYJJFXIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2)6-10(8(12)13-3)5-4-7(9)11/h7,11H,4-6H2,1-3H3.
What are the key properties of methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate?
methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 115269670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).