4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline

C16H25FN2 — CID 83198617

IUPAC4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline
SMILESCN(CC(C)(C)C1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-16(2,13-5-4-10-18-11-13)12-19(3)15-8-6-14(17)7-9-15/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyGAOXIMNUBNMFGY-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.29
Rot. Bonds4

About 4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline

4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline (PubChem CID 83198617) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline
PubChem CID83198617
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline
SMILESCN(CC(C)(C)C1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-16(2,13-5-4-10-18-11-13)12-19(3)15-8-6-14(17)7-9-15/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyGAOXIMNUBNMFGY-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200199
N-(furan-2-ylmethyl)-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200291
N,2-dimethyl-2-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 83198928
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83198293
N,N-dimethyl-1-[[methyl-(2-methyl-2-piperidin-3-ylpropyl)amino]methyl]cyclobutan-1-amine
CID 105421322
2-methyl-2-piperidin-3-ylpropan-1-ol
CID 83200214
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
N'-ethyl-N,N-dimethyl-N'-(2-methyl-2-piperidin-3-ylpropyl)propane-1,3-diamine
CID 102994334
3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 102622006
3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 105411746
N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine
CID 83199655
2-methyl-2-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylpropan-1-amine
CID 83199239

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline?
The IUPAC name of 4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline (CID 83198617) is 4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline is CN(CC(C)(C)C1CCCNC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline?
The InChIKey is GAOXIMNUBNMFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(2,13-5-4-10-18-11-13)12-19(3)15-8-6-14(17)7-9-15/h6-9,13,18H,4-5,10-12H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline?
4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline has a molecular weight of 264.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline is sourced from PubChem (CID 83198617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).