ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride

C16H24ClNO3 — CID 112758018

IUPACethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCCCN1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-3-20-15(18)16(9-4-5-10-17-16)12-13-7-6-8-14(11-13)19-2;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H
InChIKeyIXFSVPMCMOHMCC-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.73
Rot. Bonds5

About ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride

ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride (PubChem CID 112758018) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride
PubChem CID112758018
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Nameethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCCCN1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-3-20-15(18)16(9-4-5-10-17-16)12-13-7-6-8-14(11-13)19-2;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H
InChIKeyIXFSVPMCMOHMCC-UHFFFAOYSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
ethyl 2-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 20786311
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 25371387
ethyl (3R)-1-(2,6-dimethylpyrimidine-4-carbonyl)-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 25279953
2-[(3-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 115103734
ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
CID 25455542
ethyl 1-[2-(2-methoxyphenoxy)acetyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 45201961
ethyl (3R)-1-(2,5-dimethylfuran-3-carbonyl)-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 42095434
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride (CID 112758018) is ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride is CCOC(=O)C1(Cc2cccc(OC)c2)CCCCN1.Cl.
What is the InChIKey of ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride?
The InChIKey is IXFSVPMCMOHMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-3-20-15(18)16(9-4-5-10-17-16)12-13-7-6-8-14(11-13)19-2;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H.
What are the key properties of ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride?
ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride has a molecular weight of 313.82 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 112758018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).