3,4-Dihydro-2-(1-piperidinylmethyl)-1(2H)-naphthalenone
Basic information
- CAS
4706-74-5- Standard SMILES
O=C1c2ccccc2CCC1CN1CCCCC1- InChIKey
UYBXDDGLSMPWAN-UHFFFAOYSA-N- Molecular formula
- C16H21NO
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.16231429
Names & identifiers
- Preferred name
- 3,4-Dihydro-2-(1-piperidinylmethyl)-1(2H)-naphthalenone
- IUPAC
- 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
4706-74-5RefChem:10657463,4-Dihydro-2-(1-piperidinylmethyl)-1(2H)-naphthalenone2-Piperidinomethyl-1-tetraloneCHEMBL3245452BRN 01990491-Piperidinomethyl-tetralon-2 [German]1-Piperidinomethyl-tetralon-22-(Piperidino)methyl-3,4-dihydro-1(2H)-naphthalenone1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-2-(PIPERIDINO)METHYL-CHEMBL3303730SCHEMBL30423421
Show more names
DTXSID70963734BDBM504975402-(1-piperidylmethyl)tetralin-1-one2-[(Piperidin-1-yl)methyl]-3,4-dihydronaphthalen-1(2H)-one
Database identifiers
- CAS
4706-74-5- PubChem CID
- 20830
- DTXSID
DTXSID70963734- ChEMBL
CHEMBL3245452、CHEMBL3303730- Nikkaji
- J61.670B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
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Related reactions
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Compound notes
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