1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine

C17H27FN2 — CID 83053529

IUPAC1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCCCN1C(c1ccc(F)cc1)C(C)N
InChIInChI=1S/C17H27FN2/c1-3-6-16-7-4-5-12-20(16)17(13(2)19)14-8-10-15(18)11-9-14/h8-11,13,16-17H,3-7,12,19H2,1-2H3
InChIKeyNRGMMRYWICBWPC-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine

1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine (PubChem CID 83053529) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
PubChem CID83053529
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCCCN1C(c1ccc(F)cc1)C(C)N
InChIInChI=1S/C17H27FN2/c1-3-6-16-7-4-5-12-20(16)17(13(2)19)14-8-10-15(18)11-9-14/h8-11,13,16-17H,3-7,12,19H2,1-2H3
InChIKeyNRGMMRYWICBWPC-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-(2-propylpiperidin-1-yl)propan-1-amine
CID 107521942
1-(1-methylpyrazol-4-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83052284
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053735
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053523
2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053569
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053219
1-(2-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018825
2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052417
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053424
2-(2-propylpiperidin-1-yl)pentan-3-amine
CID 83053461
2-(2,6-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053654

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine (CID 83053529) is 1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine is CCCC1CCCCN1C(c1ccc(F)cc1)C(C)N.
What is the InChIKey of 1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
The InChIKey is NRGMMRYWICBWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-6-16-7-4-5-12-20(16)17(13(2)19)14-8-10-15(18)11-9-14/h8-11,13,16-17H,3-7,12,19H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 83053529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).