ethane;4-(2-piperidin-1-ylethoxy)benzoic acid

C18H31NO3 — CID 142014809

IUPACethane;4-(2-piperidin-1-ylethoxy)benzoic acid
SMILESCC.CC.O=C(O)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C14H19NO3.2C2H6/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;2*1-2/h4-7H,1-3,8-11H2,(H,16,17);2*1-2H3
InChIKeyRSBHKQDSDJOONW-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.30
Rot. Bonds5

About ethane;4-(2-piperidin-1-ylethoxy)benzoic acid

ethane;4-(2-piperidin-1-ylethoxy)benzoic acid (PubChem CID 142014809) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is ethane;4-(2-piperidin-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Nameethane;4-(2-piperidin-1-ylethoxy)benzoic acid
PubChem CID142014809
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Nameethane;4-(2-piperidin-1-ylethoxy)benzoic acid
SMILESCC.CC.O=C(O)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C14H19NO3.2C2H6/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;2*1-2/h4-7H,1-3,8-11H2,(H,16,17);2*1-2H3
InChIKeyRSBHKQDSDJOONW-UHFFFAOYSA-N
XLogP4.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;4-(2-piperidin-1-ylethoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
methane;4-(2-piperidin-1-ylethoxy)benzoic acid;4-(2-piperidin-1-ylethoxy)benzoyl chloride
CID 161045120
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
3-[1,1-bis[4-[2-(azepan-1-yl)ethoxy]phenyl]but-1-en-2-yl]benzoic acid
CID 132566962
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-2-en-1-one
CID 162367138
4-[[[4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122087184

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-piperidin-1-ylethoxy)benzoic acid?
The IUPAC name of ethane;4-(2-piperidin-1-ylethoxy)benzoic acid (CID 142014809) is ethane;4-(2-piperidin-1-ylethoxy)benzoic acid.
What is the SMILES notation for ethane;4-(2-piperidin-1-ylethoxy)benzoic acid?
The canonical SMILES for ethane;4-(2-piperidin-1-ylethoxy)benzoic acid is CC.CC.O=C(O)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of ethane;4-(2-piperidin-1-ylethoxy)benzoic acid?
The InChIKey is RSBHKQDSDJOONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.2C2H6/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;2*1-2/h4-7H,1-3,8-11H2,(H,16,17);2*1-2H3.
What are the key properties of ethane;4-(2-piperidin-1-ylethoxy)benzoic acid?
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid has a molecular weight of 309.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-piperidin-1-ylethoxy)benzoic acid is sourced from PubChem (CID 142014809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).