[1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone

C22H27FN2O — CID 70033085

IUPAC[1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCC(CC(N)c1ccccc1)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O/c1-16(15-21(24)17-5-3-2-4-6-17)25-13-11-19(12-14-25)22(26)18-7-9-20(23)10-8-18/h2-10,16,19,21H,11-15,24H2,1H3
InChIKeyZEMFFKICURLUMW-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.20
Rot. Bonds6

About [1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone

[1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 70033085) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is [1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID70033085
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name[1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCC(CC(N)c1ccccc1)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O/c1-16(15-21(24)17-5-3-2-4-6-17)25-13-11-19(12-14-25)22(26)18-7-9-20(23)10-8-18/h2-10,16,19,21H,11-15,24H2,1H3
InChIKeyZEMFFKICURLUMW-UHFFFAOYSA-N
XLogP4.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 70033085) is [1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone is CC(CC(N)c1ccccc1)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is ZEMFFKICURLUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16(15-21(24)17-5-3-2-4-6-17)25-13-11-19(12-14-25)22(26)18-7-9-20(23)10-8-18/h2-10,16,19,21H,11-15,24H2,1H3.
What are the key properties of [1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 354.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-4-phenylbutan-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 70033085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).