(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine

C17H28FN3 — CID 97322268

IUPAC(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
SMILESCC[C@H](N[C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H28FN3/c1-4-17(15-5-7-16(18)8-6-15)19-14(2)13-21-11-9-20(3)10-12-21/h5-8,14,17,19H,4,9-13H2,1-3H3/t14-,17+/m1/s1
InChIKeyVANCZKSBRLNGBW-PBHICJAKSA-N
MW293.43 g/mol
LogP2.50
Rot. Bonds6

About (1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine

(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine (PubChem CID 97322268) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
PubChem CID97322268
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
SMILESCC[C@H](N[C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H28FN3/c1-4-17(15-5-7-16(18)8-6-15)19-14(2)13-21-11-9-20(3)10-12-21/h5-8,14,17,19H,4,9-13H2,1-3H3/t14-,17+/m1/s1
InChIKeyVANCZKSBRLNGBW-PBHICJAKSA-N
XLogP2.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 75428016
1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 167847372
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
CID 54949998
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 61475275
4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530804
N-[bis(4-fluorophenyl)methyl]butan-2-amine
CID 170075014

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine (CID 97322268) is (1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine is CC[C@H](N[C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
The InChIKey is VANCZKSBRLNGBW-PBHICJAKSA-N. The full InChI is InChI=1S/C17H28FN3/c1-4-17(15-5-7-16(18)8-6-15)19-14(2)13-21-11-9-20(3)10-12-21/h5-8,14,17,19H,4,9-13H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine is sourced from PubChem (CID 97322268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).