methyl 4-methoxypiperidine-1-carboxylate

C8H15NO3 — CID 25198866

IUPACmethyl 4-methoxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(OC)CC1
InChIInChI=1S/C8H15NO3/c1-11-7-3-5-9(6-4-7)8(10)12-2/h7H,3-6H2,1-2H3
InChIKeyQJHKVFLNDGYLQZ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.86
Rot. Bonds1

About methyl 4-methoxypiperidine-1-carboxylate

methyl 4-methoxypiperidine-1-carboxylate (PubChem CID 25198866) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 4-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxypiperidine-1-carboxylate
PubChem CID25198866
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 4-methoxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(OC)CC1
InChIInChI=1S/C8H15NO3/c1-11-7-3-5-9(6-4-7)8(10)12-2/h7H,3-6H2,1-2H3
InChIKeyQJHKVFLNDGYLQZ-UHFFFAOYSA-N
XLogP0.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxypiperidine-1-carboxylate?
The IUPAC name of methyl 4-methoxypiperidine-1-carboxylate (CID 25198866) is methyl 4-methoxypiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-methoxypiperidine-1-carboxylate?
The canonical SMILES for methyl 4-methoxypiperidine-1-carboxylate is COC(=O)N1CCC(OC)CC1.
What is the InChIKey of methyl 4-methoxypiperidine-1-carboxylate?
The InChIKey is QJHKVFLNDGYLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-7-3-5-9(6-4-7)8(10)12-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 4-methoxypiperidine-1-carboxylate?
methyl 4-methoxypiperidine-1-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 25198866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).