1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine

C14H20F2N2 — CID 113328880

IUPAC1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1Cc1cccc(C(F)F)c1
InChIInChI=1S/C14H20F2N2/c1-10-7-13(17)5-6-18(10)9-11-3-2-4-12(8-11)14(15)16/h2-4,8,10,13-14H,5-7,9,17H2,1H3
InChIKeyARUBIRULAJCHQK-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.94
Rot. Bonds3

About 1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine

1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine (PubChem CID 113328880) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine
PubChem CID113328880
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1Cc1cccc(C(F)F)c1
InChIInChI=1S/C14H20F2N2/c1-10-7-13(17)5-6-18(10)9-11-3-2-4-12(8-11)14(15)16/h2-4,8,10,13-14H,5-7,9,17H2,1H3
InChIKeyARUBIRULAJCHQK-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-amino-2-methylpiperidin-1-yl)methyl]benzoic acid
CID 115312935
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine
CID 75509563
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745067
2-methyl-1-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 115312023
3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76939940
1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 54976240
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 122149010
1-[(5-bromofuran-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115311896
1-[[3-(difluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 115529626
2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 115526864

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine (CID 113328880) is 1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine is CC1CC(N)CCN1Cc1cccc(C(F)F)c1.
What is the InChIKey of 1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine?
The InChIKey is ARUBIRULAJCHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-7-13(17)5-6-18(10)9-11-3-2-4-12(8-11)14(15)16/h2-4,8,10,13-14H,5-7,9,17H2,1H3.
What are the key properties of 1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine?
1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine has a molecular weight of 254.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethyl)phenyl]methyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 113328880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).