1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid

C15H21NO3 — CID 106745542

IUPAC1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(C)c1ccc(O)cc1
InChIInChI=1S/C15H21NO3/c1-10-9-13(15(18)19)7-8-16(10)11(2)12-3-5-14(17)6-4-12/h3-6,10-11,13,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyNKQWEYKTWMHVHV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.64
Rot. Bonds3

About 1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid

1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106745542) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106745542
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(C)c1ccc(O)cc1
InChIInChI=1S/C15H21NO3/c1-10-9-13(15(18)19)7-8-16(10)11(2)12-3-5-14(17)6-4-12/h3-6,10-11,13,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyNKQWEYKTWMHVHV-UHFFFAOYSA-N
XLogP2.64
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid (CID 106745542) is 1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(C)c1ccc(O)cc1.
What is the InChIKey of 1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is NKQWEYKTWMHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-9-13(15(18)19)7-8-16(10)11(2)12-3-5-14(17)6-4-12/h3-6,10-11,13,17H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid?
1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106745542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).