5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

C13H18F3N3O — CID 66053570

IUPAC5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1ncccc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-18(2)7-9-6-10(20)8-19(9)12-11(13(14,15)16)4-3-5-17-12/h3-5,9-10,20H,6-8H2,1-2H3
InChIKeyIKOIASRMSAVNOT-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.60
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 66053570) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID66053570
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1ncccc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-18(2)7-9-6-10(20)8-19(9)12-11(13(14,15)16)4-3-5-17-12/h3-5,9-10,20H,6-8H2,1-2H3
InChIKeyIKOIASRMSAVNOT-UHFFFAOYSA-N
XLogP1.60
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (CID 66053570) is 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1ncccc1C(F)(F)F.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is IKOIASRMSAVNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-18(2)7-9-6-10(20)8-19(9)12-11(13(14,15)16)4-3-5-17-12/h3-5,9-10,20H,6-8H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 289.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).