1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid

C16H20ClNO2 — CID 117474090

IUPAC1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(N3CCCCC3)c(Cl)c2)CCC1
InChIInChI=1S/C16H20ClNO2/c17-13-11-12(16(15(19)20)7-4-8-16)5-6-14(13)18-9-2-1-3-10-18/h5-6,11H,1-4,7-10H2,(H,19,20)
InChIKeyLCGXLVTYFRPTPJ-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.84
Rot. Bonds3

About 1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid

1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117474090) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117474090
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(N3CCCCC3)c(Cl)c2)CCC1
InChIInChI=1S/C16H20ClNO2/c17-13-11-12(16(15(19)20)7-4-8-16)5-6-14(13)18-9-2-1-3-10-18/h5-6,11H,1-4,7-10H2,(H,19,20)
InChIKeyLCGXLVTYFRPTPJ-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid (CID 117474090) is 1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccc(N3CCCCC3)c(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is LCGXLVTYFRPTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-13-11-12(16(15(19)20)7-4-8-16)5-6-14(13)18-9-2-1-3-10-18/h5-6,11H,1-4,7-10H2,(H,19,20).
What are the key properties of 1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid?
1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 293.79 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117474090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).