methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate

C14H19NO3 — CID 117028088

IUPACmethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccc(OC)cc2)C1
InChIInChI=1S/C14H19NO3/c1-17-13-7-5-12(6-8-13)15-9-3-4-11(10-15)14(16)18-2/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyBVVBQCKDBQEVJO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds3

About methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate

methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate (PubChem CID 117028088) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
PubChem CID117028088
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccc(OC)cc2)C1
InChIInChI=1S/C14H19NO3/c1-17-13-7-5-12(6-8-13)15-9-3-4-11(10-15)14(16)18-2/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyBVVBQCKDBQEVJO-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze methyl 1-(4-methoxyphenyl)piperidine-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

Related Compounds

ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
methyl 1-(4-cyanophenyl)piperidine-3-carboxylate
CID 78920280
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
CID 108773382
methyl 1-(4-bromophenyl)pyrrolidine-3-carboxylate
CID 83981693
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113331246
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate
CID 115538410
methyl 1-(3-bromo-4-carbamothioylphenyl)piperidine-3-carboxylate
CID 107278010

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate (CID 117028088) is methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2ccc(OC)cc2)C1.
What is the InChIKey of methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate?
The InChIKey is BVVBQCKDBQEVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-7-5-12(6-8-13)15-9-3-4-11(10-15)14(16)18-2/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate?
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 117028088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).