4,4-Piperidinedimethanamine, 1-acetyl-
Basic information
- CAS
712259-40-0- Standard SMILES
CC(=O)N1CCC(CN)(CN)CC1- InChIKey
IHRWNBMVADZHFO-UHFFFAOYSA-N- Molecular formula
- C9H19N3O
- Average molar mass
- 185.27 g/mol
- Monoisotopic mass
- 185.15281224
Names & identifiers
- Preferred name
- 4,4-Piperidinedimethanamine, 1-acetyl-
- IUPAC
- 1-[4,4-bis(aminomethyl)piperidin-1-yl]ethanone
- English name
- 4,4-Piperidinedimethanamine, 1-acetyl- (9CI)
- Molecular formula
- C9H19N3O
- Molecular weight
- 185.27
Names & synonyms
712259-40-0SCHEMBL7960213DB-2834404,4-PIPERIDINEDIMETHANAMINE, 1-ACETYL-4,4-Piperidinedimethanamine, 1-acetyl- (9CI)Ethanone, 1-[4,4-bis(aminomethyl)-1-piperidinyl]-
Database identifiers
- CAS
712259-40-0- PubChem CID
- 15057816
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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