4-[3-(Piperidine-1-sulfonyl)pyridin-4-yl]-N-propylpiperazin-1-amine--hydrogen chloride (1/1)
Basic information
- CAS
74375-96-5- Standard SMILES
CCCNN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1.Cl- InChIKey
YSUXJJNHUGMXLB-UHFFFAOYSA-N- Molecular formula
- C17H30ClN5O2S
- Average molar mass
- 404 g/mol
- Monoisotopic mass
- 403.1808741
Names & identifiers
- Preferred name
- 4-[3-(Piperidine-1-sulfonyl)pyridin-4-yl]-N-propylpiperazin-1-amine--hydrogen chloride (1/1)
- IUPAC
- 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propylpiperazin-1-amine;hydrochloride
Names & synonyms
74375-96-5DTXSID00712535NSC378704NSC-3787044-[3-(Piperidine-1-sulfonyl)pyridin-4-yl]-N-propylpiperazin-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
74375-96-5- PubChem CID
- 54598697
- DTXSID
DTXSID00712535
Properties
Computed structural properties
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
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Compound notes
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