1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one

C9H15F3N2O2 — CID 155893896

IUPAC1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESNCC1(O)CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-7(15)14-3-1-8(16,6-13)2-4-14/h16H,1-6,13H2
InChIKeyFLBGOYQUJOXZEZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.25
Rot. Bonds2

About 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one

1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 155893896) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
PubChem CID155893896
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESNCC1(O)CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-7(15)14-3-1-8(16,6-13)2-4-14/h16H,1-6,13H2
InChIKeyFLBGOYQUJOXZEZ-UHFFFAOYSA-N
XLogP0.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one (CID 155893896) is 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one is NCC1(O)CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is FLBGOYQUJOXZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-7(15)14-3-1-8(16,6-13)2-4-14/h16H,1-6,13H2.
What are the key properties of 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one?
1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 240.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 155893896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).