1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol

C10H19F3N2O — CID 103366492

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CC(CN)C(F)(F)F)CC1O
InChIInChI=1S/C10H19F3N2O/c1-7-2-3-15(6-9(7)16)5-8(4-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3
InChIKeyVHVMRRXSNIBFNE-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.83
Rot. Bonds3

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol (PubChem CID 103366492) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol
PubChem CID103366492
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CC(CN)C(F)(F)F)CC1O
InChIInChI=1S/C10H19F3N2O/c1-7-2-3-15(6-9(7)16)5-8(4-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3
InChIKeyVHVMRRXSNIBFNE-UHFFFAOYSA-N
XLogP0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol (CID 103366492) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol is CC1CCN(CC(CN)C(F)(F)F)CC1O.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol?
The InChIKey is VHVMRRXSNIBFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7-2-3-15(6-9(7)16)5-8(4-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol has a molecular weight of 240.27 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 103366492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).