4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid

C12H14ClNO4 — CID 135387758

IUPAC4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ccc(Cl)c(O)c2)CC1
InChIInChI=1S/C12H14ClNO4/c13-10-2-1-9(7-11(10)15)18-8-3-5-14(6-4-8)12(16)17/h1-2,7-8,15H,3-6H2,(H,16,17)
InChIKeyHPIJMWOOYFBNHW-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.57
Rot. Bonds2

About 4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid

4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid (PubChem CID 135387758) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid
PubChem CID135387758
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ccc(Cl)c(O)c2)CC1
InChIInChI=1S/C12H14ClNO4/c13-10-2-1-9(7-11(10)15)18-8-3-5-14(6-4-8)12(16)17/h1-2,7-8,15H,3-6H2,(H,16,17)
InChIKeyHPIJMWOOYFBNHW-UHFFFAOYSA-N
XLogP2.57
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
4-(4-chloroquinolin-7-yl)oxypiperidine-1-carboxylic acid
CID 174166454
4-(4-chloroquinolin-6-yl)oxypiperidine-1-carboxylic acid
CID 121318195
4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylic acid
CID 91402575
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid
CID 89445047
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382
4-[[1-(4-methoxyphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 57468346
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450
2-tert-butyl-4-(3,4-dichlorophenoxy)piperidine-1-carboxylic acid
CID 69159589
4-(3-methoxy-4-nitrophenoxy)piperidine-1-carboxylic acid
CID 156749027

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid (CID 135387758) is 4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2ccc(Cl)c(O)c2)CC1.
What is the InChIKey of 4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid?
The InChIKey is HPIJMWOOYFBNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c13-10-2-1-9(7-11(10)15)18-8-3-5-14(6-4-8)12(16)17/h1-2,7-8,15H,3-6H2,(H,16,17).
What are the key properties of 4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid?
4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 135387758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).