methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate

C18H21NO2 — CID 10684403

IUPACmethyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c1-19-10-9-16(17(12-19)18(20)21-2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17H,9-10,12H2,1-2H3/t16-,17-/m1/s1
InChIKeyHGWWVVYOQKETON-IAGOWNOFSA-N
MW283.37 g/mol
LogP3.05
Rot. Bonds2

About methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate

methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate (PubChem CID 10684403) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
PubChem CID10684403
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c1-19-10-9-16(17(12-19)18(20)21-2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17H,9-10,12H2,1-2H3/t16-,17-/m1/s1
InChIKeyHGWWVVYOQKETON-IAGOWNOFSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-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 (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate?
The IUPAC name of methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate (CID 10684403) is methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate is COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate?
The InChIKey is HGWWVVYOQKETON-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-10-9-16(17(12-19)18(20)21-2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17H,9-10,12H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate?
methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 10684403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).