ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate

C16H23NO4 — CID 7446357

IUPACethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1Cc1ccc(OC)c(O)c1
InChIInChI=1S/C16H23NO4/c1-3-21-16(19)13-6-4-5-9-17(13)11-12-7-8-15(20-2)14(18)10-12/h7-8,10,13,18H,3-6,9,11H2,1-2H3/t13-/m0/s1
InChIKeyKHUINNXWGCBYMC-ZDUSSCGKSA-N
MW293.36 g/mol
LogP2.32
Rot. Bonds5

About ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate

ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate (PubChem CID 7446357) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
PubChem CID7446357
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1Cc1ccc(OC)c(O)c1
InChIInChI=1S/C16H23NO4/c1-3-21-16(19)13-6-4-5-9-17(13)11-12-7-8-15(20-2)14(18)10-12/h7-8,10,13,18H,3-6,9,11H2,1-2H3/t13-/m0/s1
InChIKeyKHUINNXWGCBYMC-ZDUSSCGKSA-N
XLogP2.32
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 792510
ethyl 1-[(3-bromo-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 78915187
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038
ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 40633764
ethyl 1-[(3-cyano-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 65344470
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate
CID 2838370
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481
ethyl 1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2838021
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate (CID 7446357) is ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1Cc1ccc(OC)c(O)c1.
What is the InChIKey of ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is KHUINNXWGCBYMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-21-16(19)13-6-4-5-9-17(13)11-12-7-8-15(20-2)14(18)10-12/h7-8,10,13,18H,3-6,9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate?
ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 7446357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).