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

C16H25FN2 — CID 79703609

IUPAC1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCc1cc(F)cc(C(N)C(C)(C)N2CCCCC2)c1
InChIInChI=1S/C16H25FN2/c1-12-9-13(11-14(17)10-12)15(18)16(2,3)19-7-5-4-6-8-19/h9-11,15H,4-8,18H2,1-3H3
InChIKeyRSGUOPTVZGBJLO-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.40
Rot. Bonds3

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

1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 79703609) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
PubChem CID79703609
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCc1cc(F)cc(C(N)C(C)(C)N2CCCCC2)c1
InChIInChI=1S/C16H25FN2/c1-12-9-13(11-14(17)10-12)15(18)16(2,3)19-7-5-4-6-8-19/h9-11,15H,4-8,18H2,1-3H3
InChIKeyRSGUOPTVZGBJLO-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79045322
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79705436
2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 79051086
1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 107128890
2-(azepan-1-yl)-1-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 79051219
1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065290
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056215
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-methylpropan-1-amine
CID 79050777
[1-(3-fluoro-5-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241230
2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 79050763
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946820

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine (CID 79703609) is 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine is Cc1cc(F)cc(C(N)C(C)(C)N2CCCCC2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is RSGUOPTVZGBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-9-13(11-14(17)10-12)15(18)16(2,3)19-7-5-4-6-8-19/h9-11,15H,4-8,18H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.40, 3 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-ylpropan-1-amine is sourced from PubChem (CID 79703609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).