1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid

C15H20ClNO3 — CID 84751510

IUPAC1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid
SMILESCC(Cc1cc(Cl)ccc1O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20ClNO3/c1-10(8-12-9-13(16)2-3-14(12)18)17-6-4-11(5-7-17)15(19)20/h2-3,9-11,18H,4-8H2,1H3,(H,19,20)
InChIKeyZDTOGVVTHQPELJ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.77
Rot. Bonds4

About 1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid

1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid (PubChem CID 84751510) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid
PubChem CID84751510
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid
SMILESCC(Cc1cc(Cl)ccc1O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20ClNO3/c1-10(8-12-9-13(16)2-3-14(12)18)17-6-4-11(5-7-17)15(19)20/h2-3,9-11,18H,4-8H2,1H3,(H,19,20)
InChIKeyZDTOGVVTHQPELJ-UHFFFAOYSA-N
XLogP2.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid
CID 84751503
1-[1-(2,4-dichlorophenyl)ethyl]piperidine-4-carboxylic acid
CID 3945055
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
1-[(5-chloro-2-hydroxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071786
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
1-[1-(4-methylsulfanylphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751499
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 82065309

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid (CID 84751510) is 1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid is CC(Cc1cc(Cl)ccc1O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is ZDTOGVVTHQPELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(8-12-9-13(16)2-3-14(12)18)17-6-4-11(5-7-17)15(19)20/h2-3,9-11,18H,4-8H2,1H3,(H,19,20).
What are the key properties of 1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid?
1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 297.78 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 84751510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).