[1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol

C11H21F3N2O — CID 61046566

IUPAC[1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
SMILESCC(C)N1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-9(2)16-5-3-10(8-17,4-6-16)15-7-11(12,13)14/h9,15,17H,3-8H2,1-2H3
InChIKeyJKTGANXHOZFQPB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds4

About [1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol

[1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol (PubChem CID 61046566) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is [1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
PubChem CID61046566
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name[1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
SMILESCC(C)N1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-9(2)16-5-3-10(8-17,4-6-16)15-7-11(12,13)14/h9,15,17H,3-8H2,1-2H3
InChIKeyJKTGANXHOZFQPB-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-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The IUPAC name of [1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol (CID 61046566) is [1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The canonical SMILES for [1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol is CC(C)N1CCC(CO)(NCC(F)(F)F)CC1.
What is the InChIKey of [1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The InChIKey is JKTGANXHOZFQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(2)16-5-3-10(8-17,4-6-16)15-7-11(12,13)14/h9,15,17H,3-8H2,1-2H3.
What are the key properties of [1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
[1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol 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-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 61046566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).