1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol

C11H21F3N2O — CID 75507574

IUPAC1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol
SMILESCC(C)NC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-8(2)15-9-3-5-16(6-4-9)7-10(17)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3
InChIKeyWHWBPOBTWPQBDS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds4

About 1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol (PubChem CID 75507574) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol
PubChem CID75507574
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol
SMILESCC(C)NC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-8(2)15-9-3-5-16(6-4-9)7-10(17)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3
InChIKeyWHWBPOBTWPQBDS-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol (CID 75507574) is 1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol is CC(C)NC1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol?
The InChIKey is WHWBPOBTWPQBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(2)15-9-3-5-16(6-4-9)7-10(17)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 75507574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).