1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid

C14H19NO4 — CID 107707800

IUPAC1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
SMILESCC(c1cc(O)cc(O)c1)N1CCCCC1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(10-6-11(16)8-12(17)7-10)15-5-3-2-4-13(15)14(18)19/h6-9,13,16-17H,2-5H2,1H3,(H,18,19)
InChIKeyKTTIXCDMANMUPY-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.10
Rot. Bonds3

About 1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid

1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid (PubChem CID 107707800) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
PubChem CID107707800
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
SMILESCC(c1cc(O)cc(O)c1)N1CCCCC1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(10-6-11(16)8-12(17)7-10)15-5-3-2-4-13(15)14(18)19/h6-9,13,16-17H,2-5H2,1H3,(H,18,19)
InChIKeyKTTIXCDMANMUPY-UHFFFAOYSA-N
XLogP2.10
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 3510647
1-[1-(3-chloro-4-fluorophenyl)ethyl]azepane-2-carboxylic acid
CID 65069717
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid
CID 65056078
(2R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 97175615
1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 65054114
1-[1-(4-bromothiophen-2-yl)ethyl]azocane-2-carboxylic acid
CID 114239971
1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid
CID 65053879
1-[1-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056516
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
(2S)-1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838452
1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 4203254

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid (CID 107707800) is 1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid is CC(c1cc(O)cc(O)c1)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid?
The InChIKey is KTTIXCDMANMUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(10-6-11(16)8-12(17)7-10)15-5-3-2-4-13(15)14(18)19/h6-9,13,16-17H,2-5H2,1H3,(H,18,19).
What are the key properties of 1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid?
1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107707800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).