1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane

C15H24F3N3O — CID 121304837

IUPAC1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane
SMILESN.NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O.H3N/c16-15(17,18)14(21)6-8-20(9-7-14)13(11-19)10-12-4-2-1-3-5-12;/h1-5,13,21H,6-11,19H2;1H3
InChIKeyPSVYROZNUSCAJO-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.11
Rot. Bonds4

About 1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane

1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane (PubChem CID 121304837) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane.

Molecular Properties

Compound Name1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane
PubChem CID121304837
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Name1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane
SMILESN.NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O.H3N/c16-15(17,18)14(21)6-8-20(9-7-14)13(11-19)10-12-4-2-1-3-5-12;/h1-5,13,21H,6-11,19H2;1H3
InChIKeyPSVYROZNUSCAJO-UHFFFAOYSA-N
XLogP2.11
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane?
The IUPAC name of 1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane (CID 121304837) is 1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane.
What is the SMILES notation for 1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane?
The canonical SMILES for 1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane is N.NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane?
The InChIKey is PSVYROZNUSCAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O.H3N/c16-15(17,18)14(21)6-8-20(9-7-14)13(11-19)10-12-4-2-1-3-5-12;/h1-5,13,21H,6-11,19H2;1H3.
What are the key properties of 1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane?
1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane has a molecular weight of 319.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-phenylpropan-2-yl)-4-(trifluoromethyl)piperidin-4-ol;azane is sourced from PubChem (CID 121304837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).