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

C11H21F3N2O — CID 61046015

IUPAC[1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
SMILESCCCN1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-5-16-6-3-10(9-17,4-7-16)15-8-11(12,13)14/h15,17H,2-9H2,1H3
InChIKeyBCYRRNBLJDJPLQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.38
Rot. Bonds5

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

[1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol (PubChem CID 61046015) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is [1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
PubChem CID61046015
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name[1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
SMILESCCCN1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-5-16-6-3-10(9-17,4-7-16)15-8-11(12,13)14/h15,17H,2-9H2,1H3
InChIKeyBCYRRNBLJDJPLQ-UHFFFAOYSA-N
XLogP1.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The IUPAC name of [1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol (CID 61046015) is [1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The canonical SMILES for [1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol is CCCN1CCC(CO)(NCC(F)(F)F)CC1.
What is the InChIKey of [1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The InChIKey is BCYRRNBLJDJPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-5-16-6-3-10(9-17,4-7-16)15-8-11(12,13)14/h15,17H,2-9H2,1H3.
What are the key properties of [1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
[1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol has a molecular weight of 254.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 61046015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).