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

C11H22F3N3O — CID 134375333

IUPAC[1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
SMILESCN(C)N1CCC(CO)(CNCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O/c1-16(2)17-5-3-10(9-18,4-6-17)7-15-8-11(12,13)14/h15,18H,3-9H2,1-2H3
InChIKeyWNMKFEQYDOUSJA-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.69
Rot. Bonds5

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

[1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol (PubChem CID 134375333) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is [1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
PubChem CID134375333
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name[1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
SMILESCN(C)N1CCC(CO)(CNCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O/c1-16(2)17-5-3-10(9-18,4-6-17)7-15-8-11(12,13)14/h15,18H,3-9H2,1-2H3
InChIKeyWNMKFEQYDOUSJA-UHFFFAOYSA-N
XLogP0.69
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol (CID 134375333) is [1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol is CN(C)N1CCC(CO)(CNCC(F)(F)F)CC1.
What is the InChIKey of [1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The InChIKey is WNMKFEQYDOUSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-16(2)17-5-3-10(9-18,4-6-17)7-15-8-11(12,13)14/h15,18H,3-9H2,1-2H3.
What are the key properties of [1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
[1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol has a molecular weight of 269.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 134375333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).