1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine

C17H27FN2 — CID 79705436

IUPAC1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cc(C)cc(F)c1)N1CCCCC1
InChIInChI=1S/C17H27FN2/c1-4-17(3,20-8-6-5-7-9-20)16(19)14-10-13(2)11-15(18)12-14/h10-12,16H,4-9,19H2,1-3H3
InChIKeyVTTOFKSKCHKTCE-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.79
Rot. Bonds4

About 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine

1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 79705436) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
PubChem CID79705436
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cc(C)cc(F)c1)N1CCCCC1
InChIInChI=1S/C17H27FN2/c1-4-17(3,20-8-6-5-7-9-20)16(19)14-10-13(2)11-15(18)12-14/h10-12,16H,4-9,19H2,1-3H3
InChIKeyVTTOFKSKCHKTCE-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine (CID 79705436) is 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine is CCC(C)(C(N)c1cc(C)cc(F)c1)N1CCCCC1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is VTTOFKSKCHKTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-17(3,20-8-6-5-7-9-20)16(19)14-10-13(2)11-15(18)12-14/h10-12,16H,4-9,19H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79705436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).