1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid

C15H21NO3 — CID 65053879

IUPAC1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid
SMILESCCC(c1ccc(O)cc1)N1CCCCC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-2-13(11-6-8-12(17)9-7-11)16-10-4-3-5-14(16)15(18)19/h6-9,13-14,17H,2-5,10H2,1H3,(H,18,19)
InChIKeyYMZNNYBMIGWQKC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.78
Rot. Bonds4

About 1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid

1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid (PubChem CID 65053879) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid
PubChem CID65053879
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid
SMILESCCC(c1ccc(O)cc1)N1CCCCC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-2-13(11-6-8-12(17)9-7-11)16-10-4-3-5-14(16)15(18)19/h6-9,13-14,17H,2-5,10H2,1H3,(H,18,19)
InChIKeyYMZNNYBMIGWQKC-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 65069857
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 5233551
1-[1-(2-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 115997267
1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
CID 3680989
4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol
CID 82983105
4-[1-(2-phenylpyrrolidin-1-yl)propyl]phenol
CID 82959518
1-[1-(3-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 3565733
1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid
CID 4038004
1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 4650051
1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid
CID 3971131
1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 107707800
1-[1-(2-bromophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 4652875

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid (CID 65053879) is 1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid is CCC(c1ccc(O)cc1)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid?
The InChIKey is YMZNNYBMIGWQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-13(11-6-8-12(17)9-7-11)16-10-4-3-5-14(16)15(18)19/h6-9,13-14,17H,2-5,10H2,1H3,(H,18,19).
What are the key properties of 1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid?
1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 65053879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).