4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid

C14H18ClNO2 — CID 63081491

IUPAC4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
SMILESCCC1CCCCN1c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H18ClNO2/c1-2-11-5-3-4-8-16(11)13-9-10(15)6-7-12(13)14(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,17,18)
InChIKeyJEZPQTNGZXPFIJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.81
Rot. Bonds3

About 4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid

4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid (PubChem CID 63081491) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
PubChem CID63081491
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
SMILESCCC1CCCCN1c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H18ClNO2/c1-2-11-5-3-4-8-16(11)13-9-10(15)6-7-12(13)14(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,17,18)
InChIKeyJEZPQTNGZXPFIJ-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690052
5-chloro-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 114843917
2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide
CID 63082965
4-(2-ethylpiperidin-1-yl)-2,3-difluorobenzoic acid
CID 114017910
4-chloro-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 114845024
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-chlorobenzoic acid
CID 63512763
3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid
CID 63081734
2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
CID 43313045
5-amino-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 54888136
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
N-[[4-chloro-2-(2-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114847936

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid?
The IUPAC name of 4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid (CID 63081491) is 4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid is CCC1CCCCN1c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid?
The InChIKey is JEZPQTNGZXPFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-11-5-3-4-8-16(11)13-9-10(15)6-7-12(13)14(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid?
4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid has a molecular weight of 267.76 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 63081491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).