2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine

C15H23FN2 — CID 114055150

IUPAC2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine
SMILESCCCN1CCCC(N)C1c1cc(C)ccc1F
InChIInChI=1S/C15H23FN2/c1-3-8-18-9-4-5-14(17)15(18)12-10-11(2)6-7-13(12)16/h6-7,10,14-15H,3-5,8-9,17H2,1-2H3
InChIKeyQJKAVYMXTXHYEY-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.01
Rot. Bonds3

About 2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine

2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine (PubChem CID 114055150) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine
PubChem CID114055150
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine
SMILESCCCN1CCCC(N)C1c1cc(C)ccc1F
InChIInChI=1S/C15H23FN2/c1-3-8-18-9-4-5-14(17)15(18)12-10-11(2)6-7-13(12)16/h6-7,10,14-15H,3-5,8-9,17H2,1-2H3
InChIKeyQJKAVYMXTXHYEY-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine (CID 114055150) is 2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine is CCCN1CCCC(N)C1c1cc(C)ccc1F.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine?
The InChIKey is QJKAVYMXTXHYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-8-18-9-4-5-14(17)15(18)12-10-11(2)6-7-13(12)16/h6-7,10,14-15H,3-5,8-9,17H2,1-2H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine?
2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine has a molecular weight of 250.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine is sourced from PubChem (CID 114055150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).