[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine

C16H24F2N2O — CID 114959943

IUPAC[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(C(C)c2ccccc2OC(F)F)CC1CN
InChIInChI=1S/C16H24F2N2O/c1-11-7-8-20(10-13(11)9-19)12(2)14-5-3-4-6-15(14)21-16(17)18/h3-6,11-13,16H,7-10,19H2,1-2H3
InChIKeyMVXPYDYKJCOMAZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.27
Rot. Bonds5

About [1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine

[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114959943) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is [1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114959943
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(C(C)c2ccccc2OC(F)F)CC1CN
InChIInChI=1S/C16H24F2N2O/c1-11-7-8-20(10-13(11)9-19)12(2)14-5-3-4-6-15(14)21-16(17)18/h3-6,11-13,16H,7-10,19H2,1-2H3
InChIKeyMVXPYDYKJCOMAZ-UHFFFAOYSA-N
XLogP3.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(difluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066569
[1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959902
1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidine-3-carboxylic acid
CID 65072099
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114083156
[4-methyl-1-(1-naphthalen-2-ylethyl)piperidin-3-yl]methanamine
CID 114959925
2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid
CID 65069833
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575182
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304160
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376828
2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine
CID 43211843
1-[1-(2-ethoxyphenyl)ethyl]piperidin-4-amine
CID 43130865

Frequently Asked Questions

What is the IUPAC name of [1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine (CID 114959943) is [1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine is CC1CCN(C(C)c2ccccc2OC(F)F)CC1CN.
What is the InChIKey of [1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is MVXPYDYKJCOMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-11-7-8-20(10-13(11)9-19)12(2)14-5-3-4-6-15(14)21-16(17)18/h3-6,11-13,16H,7-10,19H2,1-2H3.
What are the key properties of [1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine?
[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 298.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114959943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).