1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol

C14H19F3N2O — CID 81096091

IUPAC1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2ccc(C(F)(F)F)cc2CN)CC1
InChIInChI=1S/C14H19F3N2O/c1-13(20)4-6-19(7-5-13)12-3-2-11(14(15,16)17)8-10(12)9-18/h2-3,8,20H,4-7,9,18H2,1H3
InChIKeyOEEYPYNOJPUZSQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.52
Rot. Bonds2

About 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol

1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol (PubChem CID 81096091) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol
PubChem CID81096091
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2ccc(C(F)(F)F)cc2CN)CC1
InChIInChI=1S/C14H19F3N2O/c1-13(20)4-6-19(7-5-13)12-3-2-11(14(15,16)17)8-10(12)9-18/h2-3,8,20H,4-7,9,18H2,1H3
InChIKeyOEEYPYNOJPUZSQ-UHFFFAOYSA-N
XLogP2.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol (CID 81096091) is 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol is CC1(O)CCN(c2ccc(C(F)(F)F)cc2CN)CC1.
What is the InChIKey of 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol?
The InChIKey is OEEYPYNOJPUZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-13(20)4-6-19(7-5-13)12-3-2-11(14(15,16)17)8-10(12)9-18/h2-3,8,20H,4-7,9,18H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol?
1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol has a molecular weight of 288.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81096091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).