(6-Chloropyridin-3-yl)methyl 1-((6-chloropyridin-3-yl)methyl)piperazine-2-carboxylate hydrochloride
Basic information
- CAS
1289385-01-8- Standard SMILES
Cl.O=C(OCc1ccc(Cl)nc1)C1CNCCN1Cc1ccc(Cl)nc1- InChIKey
DTIXAKQHFWISIE-UHFFFAOYSA-N- Molecular formula
- C17H19Cl3N4O2
- Average molar mass
- 417.7 g/mol
- Monoisotopic mass
- 416.057359
Names & identifiers
- Preferred name
- (6-Chloropyridin-3-yl)methyl 1-((6-chloropyridin-3-yl)methyl)piperazine-2-carboxylate hydrochloride
- IUPAC
- (6-chloro-3-pyridinyl)methyl 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2-carboxylate;hydrochloride
- English name
- 1-(6-Chloro-pyridin-3-ylMethyl)-piperazine-2-carboxylic acid 6-chloro-pyridin-3-ylMethyl ester hydrochloride
- Molecular formula
- C17H19Cl3N4O2
- Molecular weight
- 417.71736
Names & synonyms
1289385-01-8(6-Chloropyridin-3-yl)methyl 1-((6-chloropyridin-3-yl)methyl)piperazine-2-carboxylate hydrochloride1-(6-Chloro-pyridin-3-ylmethyl)-piperazine-2-carboxylic acid 6-chloro-pyridin-3-ylmethyl ester hydrochloride(6-chloropyridin-3-yl)methyl 1-[(6-chloropyridin-3-yl)methyl]piperazine-2-carboxylate;hydrochloride(6-Chloropyridin-3-yl)methyl1-((6-chloropyridin-3-yl)methyl)piperazine-2-carboxylatehydrochlorideC17H19Cl3N4O2SBB075498AKOS015940801DB-237926(6-chloro-3-pyridyl)methyl 1-[(6-chloro-3-pyridyl)methyl]piperazine-2-carboxyl ate, chloride(6-chloro-3-pyridyl)methyl 1-[(6-chloro-3-pyridyl)methyl]piperazine-2-carboxylate;hydrochloride(6-Chloro-pyridin-3-ylmethyl)-piperazine-2-carboxylic acid 6-chloro-pyridin-3-ylmethyl ester hydrochloride
Database identifiers
- CAS
1289385-01-8- PubChem CID
- 60137620
Properties
Computed structural properties
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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