1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine

C17H27FN2 — CID 62329945

IUPAC1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine
SMILESCCC(N)C(c1ccc(F)cc1)N1CCC(C)CC1C
InChIInChI=1S/C17H27FN2/c1-4-16(19)17(14-5-7-15(18)8-6-14)20-10-9-12(2)11-13(20)3/h5-8,12-13,16-17H,4,9-11,19H2,1-3H3
InChIKeyZQUOVFDWQQKZDK-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.72
Rot. Bonds4

About 1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine

1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine (PubChem CID 62329945) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine
PubChem CID62329945
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine
SMILESCCC(N)C(c1ccc(F)cc1)N1CCC(C)CC1C
InChIInChI=1S/C17H27FN2/c1-4-16(19)17(14-5-7-15(18)8-6-14)20-10-9-12(2)11-13(20)3/h5-8,12-13,16-17H,4,9-11,19H2,1-3H3
InChIKeyZQUOVFDWQQKZDK-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine (CID 62329945) is 1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine is CCC(N)C(c1ccc(F)cc1)N1CCC(C)CC1C.
What is the InChIKey of 1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine?
The InChIKey is ZQUOVFDWQQKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-16(19)17(14-5-7-15(18)8-6-14)20-10-9-12(2)11-13(20)3/h5-8,12-13,16-17H,4,9-11,19H2,1-3H3.
What are the key properties of 1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine?
1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine is sourced from PubChem (CID 62329945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).