4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol

C11H21F3N2O — CID 62222207

IUPAC4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
SMILESCC(C)N(CC(F)(F)F)CC1(O)CCNCC1
InChIInChI=1S/C11H21F3N2O/c1-9(2)16(8-11(12,13)14)7-10(17)3-5-15-6-4-10/h9,15,17H,3-8H2,1-2H3
InChIKeyYSDBUGIQZWXQIV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds4

About 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol

4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol (PubChem CID 62222207) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
PubChem CID62222207
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
SMILESCC(C)N(CC(F)(F)F)CC1(O)CCNCC1
InChIInChI=1S/C11H21F3N2O/c1-9(2)16(8-11(12,13)14)7-10(17)3-5-15-6-4-10/h9,15,17H,3-8H2,1-2H3
InChIKeyYSDBUGIQZWXQIV-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 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol (CID 62222207) is 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol is CC(C)N(CC(F)(F)F)CC1(O)CCNCC1.
What is the InChIKey of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The InChIKey is YSDBUGIQZWXQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(2)16(8-11(12,13)14)7-10(17)3-5-15-6-4-10/h9,15,17H,3-8H2,1-2H3.
What are the key properties of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-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 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 62222207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).