4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid

C12H14ClNO3 — CID 66905730

IUPAC4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C12H14ClNO3/c13-9-1-2-11(15)10(7-9)8-3-5-14(6-4-8)12(16)17/h1-2,7-8,15H,3-6H2,(H,16,17)
InChIKeyRHUNDXPPPYGDRP-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.90
Rot. Bonds1

About 4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid

4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid (PubChem CID 66905730) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
PubChem CID66905730
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C12H14ClNO3/c13-9-1-2-11(15)10(7-9)8-3-5-14(6-4-8)12(16)17/h1-2,7-8,15H,3-6H2,(H,16,17)
InChIKeyRHUNDXPPPYGDRP-UHFFFAOYSA-N
XLogP2.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
CID 140512858
4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid
CID 139510841
4-[2-chloro-4-(hydroxymethyl)phenyl]piperidine-1-carboxylic acid
CID 130303228
4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid
CID 130303023
2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde
CID 88817221
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid
CID 22312003
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
CID 166759957
4-[3-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine-1-carboxylic acid
CID 170428125
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid
CID 137045885

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid (CID 66905730) is 4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2cc(Cl)ccc2O)CC1.
What is the InChIKey of 4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid?
The InChIKey is RHUNDXPPPYGDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-1-2-11(15)10(7-9)8-3-5-14(6-4-8)12(16)17/h1-2,7-8,15H,3-6H2,(H,16,17).
What are the key properties of 4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid?
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 66905730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).