Skip to content

Bepreve

C21H25ClN2O3 — CID 25273609

💊View drug profile → bepotastine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-ium-1-yl]butanoate
SMILESO=C([O-])CCC[NH+]1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1
InChIInChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1
InChIKeyYWGDOWXRIALTES-NRFANRHFSA-N
MW388.90 g/mol
LogP1.42
Rot. Bonds8

About Bepreve

Bepreve (PubChem CID 25273609) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-ium-1-yl]butanoate.

Molecular Properties

Compound NameBepreve
PubChem CID25273609
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-ium-1-yl]butanoate
SMILESO=C([O-])CCC[NH+]1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1
InChIInChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1
InChIKeyYWGDOWXRIALTES-NRFANRHFSA-N
XLogP1.42
TPSA66.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze Bepreve 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

Carbinoxamine
CID 2564
Carbinoxamine Maleate
CID 5282409
4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid
CID 2350
Carbinoxamine fumarate
CID 6506779
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate
CID 2824418
(S)-carbinoxamine maleate
CID 23723101
[3-[(4-Chlorophenyl)-(2-methyl-3-pyridinyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57396961
N-[(6-chloro-3-pyridinyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 86766833

Frequently Asked Questions

What is the IUPAC name of Bepreve?
The IUPAC name of Bepreve (CID 25273609) is 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-ium-1-yl]butanoate.
What is the SMILES notation for Bepreve?
The canonical SMILES for Bepreve is O=C([O-])CCC[NH+]1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1.
What is the InChIKey of Bepreve?
The InChIKey is YWGDOWXRIALTES-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1.
What are the key properties of Bepreve?
Bepreve has a molecular weight of 388.90 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Bepreve is sourced from PubChem (CID 25273609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: B · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.