3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid

C14H18ClNO3 — CID 22442061

IUPAC3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCCN1CCCCC1
InChIInChI=1S/C14H18ClNO3/c15-12-6-4-5-11(14(17)18)13(12)19-10-9-16-7-2-1-3-8-16/h4-6H,1-3,7-10H2,(H,17,18)
InChIKeyPCRZGUZDHAXFFC-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.90
Rot. Bonds5

About 3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid

3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid (PubChem CID 22442061) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
PubChem CID22442061
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCCN1CCCCC1
InChIInChI=1S/C14H18ClNO3/c15-12-6-4-5-11(14(17)18)13(12)19-10-9-16-7-2-1-3-8-16/h4-6H,1-3,7-10H2,(H,17,18)
InChIKeyPCRZGUZDHAXFFC-UHFFFAOYSA-N
XLogP2.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 112612045
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
3-chloro-2-heptoxybenzoic acid
CID 112611877
methyl 2,4-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 67768456
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
1-[2-(2,6-dichlorophenoxy)ethyl]-1,4-diazepane
CID 43162548
3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid
CID 112612211
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol
CID 8690234
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate
CID 107197723
(E)-1-(2-chlorophenyl)-2-phenyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 6433865

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid?
The IUPAC name of 3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid (CID 22442061) is 3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid.
What is the SMILES notation for 3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid?
The canonical SMILES for 3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid is O=C(O)c1cccc(Cl)c1OCCN1CCCCC1.
What is the InChIKey of 3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid?
The InChIKey is PCRZGUZDHAXFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-6-4-5-11(14(17)18)13(12)19-10-9-16-7-2-1-3-8-16/h4-6H,1-3,7-10H2,(H,17,18).
What are the key properties of 3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid?
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid is sourced from PubChem (CID 22442061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).