2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol

C17H25F3N2O — CID 110021905

IUPAC2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol
SMILESCC(O)(CNC1CCN(CCC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C17H25F3N2O/c1-16(23,14-5-3-2-4-6-14)13-21-15-7-10-22(11-8-15)12-9-17(18,19)20/h2-6,15,21,23H,7-13H2,1H3
InChIKeyHCBNPJPNUPDPPS-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.90
Rot. Bonds6

About 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol

2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol (PubChem CID 110021905) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol
PubChem CID110021905
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol
SMILESCC(O)(CNC1CCN(CCC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C17H25F3N2O/c1-16(23,14-5-3-2-4-6-14)13-21-15-7-10-22(11-8-15)12-9-17(18,19)20/h2-6,15,21,23H,7-13H2,1H3
InChIKeyHCBNPJPNUPDPPS-UHFFFAOYSA-N
XLogP2.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

Pipradrol
CID 10083
4-Phenylpiperidin-4-ol
CID 96387
Diphenylprolinol
CID 204386
Pipradrol Hydrochloride
CID 66008
4-Piperidinol, 4-(3-(trifluoromethyl)phenyl)-, hydrochloride (1:1)
CID 197746
Phenyl(piperidin-2-yl)methanol
CID 225581
2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, (S)-
CID 2724899
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-pent-3-enyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10622033
(R)-N-[1-(4-Methyl-3-pentenyl)-4-piperidinyl]-2-[(S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 11796409
1-(4-Isopropylcyclohexyl)-4-[3-(trifluoromethyl)phenyl]piperidine-4-ol
CID 44339424
2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, hydrochloride
CID 204385
4-[3-(Trifluoromethyl)phenyl]-4-piperidinol
CID 75255

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol (CID 110021905) is 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol is CC(O)(CNC1CCN(CCC(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol?
The InChIKey is HCBNPJPNUPDPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-16(23,14-5-3-2-4-6-14)13-21-15-7-10-22(11-8-15)12-9-17(18,19)20/h2-6,15,21,23H,7-13H2,1H3.
What are the key properties of 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol?
2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol has a molecular weight of 330.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 110021905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).