benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate

C14H19NO4 — CID 10754158

IUPACbenzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate
SMILESCOC1C(O)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-18-13-12(16)8-5-9-15(13)14(17)19-10-11-6-3-2-4-7-11/h2-4,6-7,12-13,16H,5,8-10H2,1H3
InChIKeyPBFDQEJUYUUFDW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.75
Rot. Bonds3

About benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate

benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate (PubChem CID 10754158) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate
PubChem CID10754158
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namebenzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate
SMILESCOC1C(O)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-18-13-12(16)8-5-9-15(13)14(17)19-10-11-6-3-2-4-7-11/h2-4,6-7,12-13,16H,5,8-10H2,1H3
InChIKeyPBFDQEJUYUUFDW-UHFFFAOYSA-N
XLogP1.75
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate?
The IUPAC name of benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate (CID 10754158) is benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate is COC1C(O)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate?
The InChIKey is PBFDQEJUYUUFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13-12(16)8-5-9-15(13)14(17)19-10-11-6-3-2-4-7-11/h2-4,6-7,12-13,16H,5,8-10H2,1H3.
What are the key properties of benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate?
benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 10754158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).