3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

C15H22F2N2O — CID 43698690

IUPAC3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCC(Nc1cccc(OC(F)F)c1)C1CCN(C)CC1
InChIInChI=1S/C15H22F2N2O/c1-11(12-6-8-19(2)9-7-12)18-13-4-3-5-14(10-13)20-15(16)17/h3-5,10-12,15,18H,6-9H2,1-2H3
InChIKeyQYFSCDYAIFKXLM-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.43
Rot. Bonds5

About 3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (PubChem CID 43698690) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
PubChem CID43698690
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCC(Nc1cccc(OC(F)F)c1)C1CCN(C)CC1
InChIInChI=1S/C15H22F2N2O/c1-11(12-6-8-19(2)9-7-12)18-13-4-3-5-14(10-13)20-15(16)17/h3-5,10-12,15,18H,6-9H2,1-2H3
InChIKeyQYFSCDYAIFKXLM-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 43308766
3-ethynyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 93282608
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 54865598
3-bromo-4-fluoro-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 115929850
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946
3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 82858001
3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 79054955
3,5-dichloro-4-fluoro-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 107572964
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43307549
4-(difluoromethoxy)-3-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 60943233
6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 43688309

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (CID 43698690) is 3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is CC(Nc1cccc(OC(F)F)c1)C1CCN(C)CC1.
What is the InChIKey of 3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The InChIKey is QYFSCDYAIFKXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-11(12-6-8-19(2)9-7-12)18-13-4-3-5-14(10-13)20-15(16)17/h3-5,10-12,15,18H,6-9H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline has a molecular weight of 284.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 43698690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).