2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

C16H24F2N2O — CID 106586267

IUPAC2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(C(CN)c2ccc(C(F)F)cc2)C1
InChIInChI=1S/C16H24F2N2O/c1-21-11-12-3-2-8-20(10-12)15(9-19)13-4-6-14(7-5-13)16(17)18/h4-7,12,15-16H,2-3,8-11,19H2,1H3
InChIKeyQCNDNHRYCQMQFA-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.98
Rot. Bonds6

About 2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 106586267) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID106586267
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(C(CN)c2ccc(C(F)F)cc2)C1
InChIInChI=1S/C16H24F2N2O/c1-21-11-12-3-2-8-20(10-12)15(9-19)13-4-6-14(7-5-13)16(17)18/h4-7,12,15-16H,2-3,8-11,19H2,1H3
InChIKeyQCNDNHRYCQMQFA-UHFFFAOYSA-N
XLogP2.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275
1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
CID 115524400
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanamine
CID 64570685
2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964868
2-(4-ethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584286
2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586033
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524407
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine
CID 106586627
2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (CID 106586267) is 2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCCN(C(CN)c2ccc(C(F)F)cc2)C1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is QCNDNHRYCQMQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-21-11-12-3-2-8-20(10-12)15(9-19)13-4-6-14(7-5-13)16(17)18/h4-7,12,15-16H,2-3,8-11,19H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 298.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 106586267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).