1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine

C16H25FN2 — CID 107128890

IUPAC1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCc1ccc(C(N)C(C)(C)N2CCCCC2)cc1F
InChIInChI=1S/C16H25FN2/c1-12-7-8-13(11-14(12)17)15(18)16(2,3)19-9-5-4-6-10-19/h7-8,11,15H,4-6,9-10,18H2,1-3H3
InChIKeyAZKIXYMOENKGFE-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.40
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine

1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 107128890) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
PubChem CID107128890
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCc1ccc(C(N)C(C)(C)N2CCCCC2)cc1F
InChIInChI=1S/C16H25FN2/c1-12-7-8-13(11-14(12)17)15(18)16(2,3)19-9-5-4-6-10-19/h7-8,11,15H,4-6,9-10,18H2,1-3H3
InChIKeyAZKIXYMOENKGFE-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

2-(azepan-1-yl)-1-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 79051219
1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-ol
CID 107128539
2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 79051086
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-methylpropan-1-amine
CID 79050777
1-(3,5-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79045322
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79703609
1-(3,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051908
(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol
CID 161443517
2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 79050763
2-(azepan-1-yl)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 63648803
(1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171312332
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056215

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine (CID 107128890) is 1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine is Cc1ccc(C(N)C(C)(C)N2CCCCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is AZKIXYMOENKGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-7-8-13(11-14(12)17)15(18)16(2,3)19-9-5-4-6-10-19/h7-8,11,15H,4-6,9-10,18H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine?
1-(3-fluoro-4-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-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 107128890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).