3-Azabicyclo(3.2.1)octane, 3-(4-(1-piperidinyl)-2-butynyl)-1,8,8-trimethyl-

HCID 39554

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Basic information

CAS: 49832-53-3
Standard SMILES: CC12CCC(CN(CC#CCN3CCCCC3)C1)C2(C)C
InChIKey: NHVRKGMIBUOQBH-UHFFFAOYSA-N
Molecular formula: C19H32N2
Average molar mass: 288.5 g/mol
Monoisotopic mass: 288.25654903

Names & identifiers

Preferred name: 3-Azabicyclo(3.2.1)octane, 3-(4-(1-piperidinyl)-2-butynyl)-1,8,8-trimethyl-
IUPAC: 1,8,8-trimethyl-3-(4-piperidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane
English name: 3-[4-(1-Piperidinyl)-2-butynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
Molecular formula: C19H32N2
Molecular weight: 288.47

Names & synonyms

49832-53-33-(4-(1-Piperidinyl)-2-butynyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane3-AZABICYCLO(3.2.1)OCTANE, 3-(4-(1-PIPERIDINYL)-2-BUTYNYL)-1,8,8-TRIMETHYL-3-[4-(1-Piperidinyl)-2-butynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octaneRefChem:276738DTXSID209644381,8,8-Trimethyl-3-[4-(piperidin-1-yl)but-2-yn-1-yl]-3-azabicyclo[3.2.1]octane3-Azabicyclo[3.2.1]octane, 1,8,8-trimethyl-3-[4-(1-piperidinyl)-2-butyn-1-yl]-

Database identifiers

CAS: 49832-53-3
PubChem CID: 39554
DTXSID: DTXSID20964438
Nikkaji: J62.361J

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 6.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 435

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