1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine

C15H23FN2 — CID 117379877

IUPAC1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C15H23FN2/c1-15(2,17)11-12-10-13(16)6-7-14(12)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11,17H2,1-2H3
InChIKeyYSOFVOWGVFMPCR-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.10
Rot. Bonds3

About 1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine

1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine (PubChem CID 117379877) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
PubChem CID117379877
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C15H23FN2/c1-15(2,17)11-12-10-13(16)6-7-14(12)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11,17H2,1-2H3
InChIKeyYSOFVOWGVFMPCR-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine (CID 117379877) is 1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1cc(F)ccc1N1CCCCC1.
What is the InChIKey of 1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine?
The InChIKey is YSOFVOWGVFMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(2,17)11-12-10-13(16)6-7-14(12)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine?
1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117379877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).