methyl 1-butyl-4-hydroxypiperidine-3-carboxylate

C11H21NO3 — CID 121199616

IUPACmethyl 1-butyl-4-hydroxypiperidine-3-carboxylate
SMILESCCCCN1CCC(O)C(C(=O)OC)C1
InChIInChI=1S/C11H21NO3/c1-3-4-6-12-7-5-10(13)9(8-12)11(14)15-2/h9-10,13H,3-8H2,1-2H3
InChIKeyLZWGYLDPMNNKHF-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds4

About methyl 1-butyl-4-hydroxypiperidine-3-carboxylate

methyl 1-butyl-4-hydroxypiperidine-3-carboxylate (PubChem CID 121199616) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 1-butyl-4-hydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-butyl-4-hydroxypiperidine-3-carboxylate
PubChem CID121199616
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 1-butyl-4-hydroxypiperidine-3-carboxylate
SMILESCCCCN1CCC(O)C(C(=O)OC)C1
InChIInChI=1S/C11H21NO3/c1-3-4-6-12-7-5-10(13)9(8-12)11(14)15-2/h9-10,13H,3-8H2,1-2H3
InChIKeyLZWGYLDPMNNKHF-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-butyl-4-hydroxypiperidine-3-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 methyl 1-butyl-4-hydroxypiperidine-3-carboxylate?
The IUPAC name of methyl 1-butyl-4-hydroxypiperidine-3-carboxylate (CID 121199616) is methyl 1-butyl-4-hydroxypiperidine-3-carboxylate.
What is the SMILES notation for methyl 1-butyl-4-hydroxypiperidine-3-carboxylate?
The canonical SMILES for methyl 1-butyl-4-hydroxypiperidine-3-carboxylate is CCCCN1CCC(O)C(C(=O)OC)C1.
What is the InChIKey of methyl 1-butyl-4-hydroxypiperidine-3-carboxylate?
The InChIKey is LZWGYLDPMNNKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-6-12-7-5-10(13)9(8-12)11(14)15-2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of methyl 1-butyl-4-hydroxypiperidine-3-carboxylate?
methyl 1-butyl-4-hydroxypiperidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-butyl-4-hydroxypiperidine-3-carboxylate is sourced from PubChem (CID 121199616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).