(2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid

C15H21NO3 — CID 134313054

IUPAC(2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCCc1cc(CN2CCCC[C@H]2C(=O)O)ccc1O
InChIInChI=1S/C15H21NO3/c1-2-12-9-11(6-7-14(12)17)10-16-8-4-3-5-13(16)15(18)19/h6-7,9,13,17H,2-5,8,10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyRKLSSPCJFYIICD-ZDUSSCGKSA-N
MW263.34 g/mol
LogP2.39
Rot. Bonds4

About (2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid

(2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 134313054) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID134313054
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCCc1cc(CN2CCCC[C@H]2C(=O)O)ccc1O
InChIInChI=1S/C15H21NO3/c1-2-12-9-11(6-7-14(12)17)10-16-8-4-3-5-13(16)15(18)19/h6-7,9,13,17H,2-5,8,10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyRKLSSPCJFYIICD-ZDUSSCGKSA-N
XLogP2.39
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
1-[(3-methoxy-4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040395
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978718
1-[(4-propoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid
CID 82183381
ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 40633764
ethyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 792510

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid (CID 134313054) is (2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid is CCc1cc(CN2CCCC[C@H]2C(=O)O)ccc1O.
What is the InChIKey of (2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is RKLSSPCJFYIICD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-12-9-11(6-7-14(12)17)10-16-8-4-3-5-13(16)15(18)19/h6-7,9,13,17H,2-5,8,10H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid?
(2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 134313054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).