Propinetidine
Basic information
- CAS
3811-53-8- Standard SMILES
C#CCC1(OC(=O)CC)CCN(CCc2ccccc2)CC1- InChIKey
BPWLAJREXKWKSB-UHFFFAOYSA-N- Molecular formula
- C19H25NO2
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.18852904
Overview
Propinetidine is a small molecule drug. The usage of the INN stem '-tidine' in the name indicates that Propinetidine is a histamine- H2-receptor antagonist, cimetidine derivative. Propinetidine has a monoisotopic molecular weight of 299.19 Da.
Names & identifiers
- Preferred name
- Propinetidine
- IUPAC
- [1-(2-phenylethyl)-4-prop-2-ynylpiperidin-4-yl] propanoate
- English name
- Propinetidine
- Molecular formula
- C19H25NO2
- Molecular weight
- 299.411
Names & synonyms
Propinetidine3811-53-8Propinetidine [INN]propinetidinaUNII-70QV580PA470QV580PA4DTXSID40191522propinetidinumRefChem:176411DTXCID80114013[1-(2-phenylethyl)-4-prop-2-ynylpiperidin-4-yl] propanoate1-Phenethyl-4-(2-propynyl)-4-piperidinol propionate
Show more names
[1-(2-phenylethyl)-4-prop-2-ynyl-piperidin-4-yl] propanoatepropionic acid [1-(2-phenylethyl)-4-propargyl-4-piperidyl] ester
SCHEMBL2110673CHEMBL17424181-(2-phenylethyl)-4-(prop-2-yn-1-yl)piperidin-4-yl propanoateNS00120486Q27265889
Database identifiers
- CAS
3811-53-8- PubChem CID
- 199126
- DTXSID
DTXSID40191522- ChEMBL
CHEMBL1742418- UNII
- 70QV580PA4
- Nikkaji
- J83.624I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- FDA UNII
- 70 QV580PA4 · 70QV580PA4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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