1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol

C9H17F3N2O — CID 81097476

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C(CN)C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c1-8(15)2-4-14(5-3-8)7(6-13)9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyXINGDCNHYGPIEK-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.72
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol

1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol (PubChem CID 81097476) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol
PubChem CID81097476
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C(CN)C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c1-8(15)2-4-14(5-3-8)7(6-13)9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyXINGDCNHYGPIEK-UHFFFAOYSA-N
XLogP0.72
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol (CID 81097476) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(C(CN)C(F)(F)F)CC1.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol?
The InChIKey is XINGDCNHYGPIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8(15)2-4-14(5-3-8)7(6-13)9(10,11)12/h7,15H,2-6,13H2,1H3.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol?
1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol has a molecular weight of 226.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).