1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid

C16H23NO3 — CID 82255469

IUPAC1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
SMILESCCOc1ccc(CCN2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H23NO3/c1-2-20-15-7-5-13(6-8-15)9-11-17-10-3-4-14(12-17)16(18)19/h5-8,14H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyOOJIDHYXDWMBTO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.42
Rot. Bonds6

About 1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid

1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid (PubChem CID 82255469) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
PubChem CID82255469
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
SMILESCCOc1ccc(CCN2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H23NO3/c1-2-20-15-7-5-13(6-8-15)9-11-17-10-3-4-14(12-17)16(18)19/h5-8,14H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyOOJIDHYXDWMBTO-UHFFFAOYSA-N
XLogP2.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576550
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
1-[2-[3-ethoxy-4-(pentanoylamino)phenyl]ethyl]piperidine-3-carboxylic acid
CID 82260432
1-[2-(3-amino-4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82256028
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
(3S)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 124682029
1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
CID 82260406
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid (CID 82255469) is 1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid is CCOc1ccc(CCN2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is OOJIDHYXDWMBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-15-7-5-13(6-8-15)9-11-17-10-3-4-14(12-17)16(18)19/h5-8,14H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of 1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid?
1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82255469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).