[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine

C14H20F2N2 — CID 113329185

IUPAC[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCCC(CN)C1c1cccc(C(F)F)c1
InChIInChI=1S/C14H20F2N2/c1-18-7-3-6-12(9-17)13(18)10-4-2-5-11(8-10)14(15)16/h2,4-5,8,12-14H,3,6-7,9,17H2,1H3
InChIKeyZWKZIFUHAQQEDW-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.97
Rot. Bonds3

About [2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine

[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine (PubChem CID 113329185) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is [2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
PubChem CID113329185
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCCC(CN)C1c1cccc(C(F)F)c1
InChIInChI=1S/C14H20F2N2/c1-18-7-3-6-12(9-17)13(18)10-4-2-5-11(8-10)14(15)16/h2,4-5,8,12-14H,3,6-7,9,17H2,1H3
InChIKeyZWKZIFUHAQQEDW-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 95241129
N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 115528974
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559
[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
CID 82393146
[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
CID 98208232
[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
CID 115529030
1-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111772053
5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one
CID 115529120
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917
[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
CID 95328752
[2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine
CID 79973047
2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol
CID 105460356

Frequently Asked Questions

What is the IUPAC name of [2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine?
The IUPAC name of [2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine (CID 113329185) is [2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine is CN1CCCC(CN)C1c1cccc(C(F)F)c1.
What is the InChIKey of [2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine?
The InChIKey is ZWKZIFUHAQQEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-18-7-3-6-12(9-17)13(18)10-4-2-5-11(8-10)14(15)16/h2,4-5,8,12-14H,3,6-7,9,17H2,1H3.
What are the key properties of [2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine?
[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine has a molecular weight of 254.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 113329185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).