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

C18H21NO2 — CID 10660645

IUPACmethyl (3R,4R)-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-/m0/s1
InChIKeyHGWWVVYOQKETON-IRXDYDNUSA-N
MW283.37 g/mol
LogP3.05
Rot. Bonds2

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

methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate (PubChem CID 10660645) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
PubChem CID10660645
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl (3R,4R)-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-/m0/s1
InChIKeyHGWWVVYOQKETON-IRXDYDNUSA-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

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Related Compounds

methyl (3R,4S)-1-methyl-4-(2-methylphenyl)piperidine-3-carboxylate
CID 143099801
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557
(3R)-1-methyl-3-naphthalen-2-ylpyrrolidine
CID 97355477
methyl 1-oxido-4-phenylpiperidine-3-carboxylate
CID 87687004
methyl (1R,2R,3R,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 101064732
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
methyl 1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 50972858
(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 68654438
methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 102568183
methyl 1-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate
CID 134162390
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119545280

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate?
The IUPAC name of methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate (CID 10660645) is methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3R,4R)-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 (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate?
The InChIKey is HGWWVVYOQKETON-IRXDYDNUSA-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-/m0/s1.
What are the key properties of methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate?
methyl (3R,4R)-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 (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 10660645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).