[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine

C15H22F2N2 — CID 103440543

IUPAC[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ccc(C(F)F)cc2)C(CN)C1
InChIInChI=1S/C15H22F2N2/c1-11-6-7-19(14(8-11)9-18)10-12-2-4-13(5-3-12)15(16)17/h2-5,11,14-15H,6-10,18H2,1H3
InChIKeyUNVWFMVJGIVSKK-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.18
Rot. Bonds4

About [1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine

[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103440543) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is [1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103440543
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ccc(C(F)F)cc2)C(CN)C1
InChIInChI=1S/C15H22F2N2/c1-11-6-7-19(14(8-11)9-18)10-12-2-4-13(5-3-12)15(16)17/h2-5,11,14-15H,6-10,18H2,1H3
InChIKeyUNVWFMVJGIVSKK-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115524682
[4-methyl-1-[(4-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 103440433
4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
CID 107692148
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883161
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103442162
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441656
[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440531
[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835
[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
CID 103440378

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine (CID 103440543) is [1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine is CC1CCN(Cc2ccc(C(F)F)cc2)C(CN)C1.
What is the InChIKey of [1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is UNVWFMVJGIVSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-11-6-7-19(14(8-11)9-18)10-12-2-4-13(5-3-12)15(16)17/h2-5,11,14-15H,6-10,18H2,1H3.
What are the key properties of [1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine?
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 268.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103440543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).