(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine

C21H28FN3 — CID 143151502

IUPAC(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine
SMILESN[C@@H](CCN1CCN(Cc2ccccc2)CC1)Cc1ccccc1F
InChIInChI=1S/C21H28FN3/c22-21-9-5-4-8-19(21)16-20(23)10-11-24-12-14-25(15-13-24)17-18-6-2-1-3-7-18/h1-9,20H,10-17,23H2/t20-/m0/s1
InChIKeyKGMYYFSUFUPNOU-FQEVSTJZSA-N
MW341.47 g/mol
LogP2.90
Rot. Bonds7

About (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine

(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine (PubChem CID 143151502) has the molecular formula C21H28FN3 and a molecular weight of 341.47 g/mol. Its IUPAC name is (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine
PubChem CID143151502
Molecular FormulaC21H28FN3
Molecular Weight341.47 g/mol
Exact Mass341.23
IUPAC Name(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine
SMILESN[C@@H](CCN1CCN(Cc2ccccc2)CC1)Cc1ccccc1F
InChIInChI=1S/C21H28FN3/c22-21-9-5-4-8-19(21)16-20(23)10-11-24-12-14-25(15-13-24)17-18-6-2-1-3-7-18/h1-9,20H,10-17,23H2/t20-/m0/s1
InChIKeyKGMYYFSUFUPNOU-FQEVSTJZSA-N
XLogP2.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane
CID 143151553
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 71321687
ethane;(2R)-1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;N-(2,2,2-trifluoroethylsulfanyl)methanamine
CID 143151525
1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine
CID 143151495
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
CID 10614560
3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 4869354
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
(2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine
CID 143290721

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine?
The IUPAC name of (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine (CID 143151502) is (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine is N[C@@H](CCN1CCN(Cc2ccccc2)CC1)Cc1ccccc1F.
What is the InChIKey of (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine?
The InChIKey is KGMYYFSUFUPNOU-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28FN3/c22-21-9-5-4-8-19(21)16-20(23)10-11-24-12-14-25(15-13-24)17-18-6-2-1-3-7-18/h1-9,20H,10-17,23H2/t20-/m0/s1.
What are the key properties of (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine?
(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine has a molecular weight of 341.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 143151502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).