(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one

C9H15F3N2O2 — CID 143709555

IUPAC(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one
SMILESNCC1CCN(C(=O)[C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)8(16)14-3-1-6(5-13)2-4-14/h6-7,15H,1-5,13H2/t7-/m0/s1
InChIKeyFNHIFQKHRJBNRE-ZETCQYMHSA-N
MW240.22 g/mol
LogP0.11
Rot. Bonds2

About (2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one

(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one (PubChem CID 143709555) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one
PubChem CID143709555
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one
SMILESNCC1CCN(C(=O)[C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)8(16)14-3-1-6(5-13)2-4-14/h6-7,15H,1-5,13H2/t7-/m0/s1
InChIKeyFNHIFQKHRJBNRE-ZETCQYMHSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one?
The IUPAC name of (2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one (CID 143709555) is (2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one.
What is the SMILES notation for (2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one?
The canonical SMILES for (2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one is NCC1CCN(C(=O)[C@H](O)C(F)(F)F)CC1.
What is the InChIKey of (2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one?
The InChIKey is FNHIFQKHRJBNRE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)8(16)14-3-1-6(5-13)2-4-14/h6-7,15H,1-5,13H2/t7-/m0/s1.
What are the key properties of (2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one?
(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one has a molecular weight of 240.22 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(aminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one is sourced from PubChem (CID 143709555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).