DUP-734 free base

HCID 121968

Completing data — usually done within a minute

Basic information

CAS
135135-80-7
Standard SMILES
O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
InChIKey
KWRMWQDKOGFMKP-UHFFFAOYSA-N
Molecular formula
C17H22FNO
Average molar mass
275.36 g/mol
Monoisotopic mass
275.16854254

Names & identifiers

Preferred name
DUP-734 free base
IUPAC
2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone

Names & synonyms

DUP-734 free baseUNII-T033730RWW135135-80-7T033730RWWDTXSID80159262ETHANONE, 2-(1-(CYCLOPROPYLMETHYL)-4-PIPERIDINYL)-1-(4-FLUOROPHENYL)-RefChem:136002DTXCID6081753CHEMBL422282-(1-(Cyclopropylmethyl)piperidin-4-yl)-1-(4-fluorophenyl)ethan-1-one2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethan-1-oneCHEMBL543412
Show more names
SCHEMBL7358803KWRMWQDKOGFMKP-UHFFFAOYSA-NBDBM50002218L004958Q272894931-(Cyclopropylmethyl)-4-(2'-(4"-fluorophenyl)-2'-oxoethyl)piperidine1-(cyclopropylmethyl)-4-(2'-(4''-fluorophenyl)-2'-oxo-ethyl)-piperidine2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-ethanone; hydrobromide

Database identifiers

CAS
135135-80-7
PubChem CID
121968
DTXSID
DTXSID80159262
ChEMBL
CHEMBL42228、CHEMBL543412
UNII
T033730RWW
Nikkaji
J533.101C

Properties

Computed structural propertiesFilling in

XLogP
3.2
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20

Related reactions

5 records

Compound notes

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