[1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

C16H22F3N3O — CID 133378686

IUPAC[1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1c1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-6-1-7-15(20-14)22-9-3-4-12(22)10-21-8-2-5-13(21)11-23/h1,6-7,12-13,23H,2-5,8-11H2
InChIKeyXQPZDSBQTUMAID-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.53
Rot. Bonds4

About [1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 133378686) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is [1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID133378686
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name[1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1c1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-6-1-7-15(20-14)22-9-3-4-12(22)10-21-8-2-5-13(21)11-23/h1,6-7,12-13,23H,2-5,8-11H2
InChIKeyXQPZDSBQTUMAID-UHFFFAOYSA-N
XLogP2.53
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 133378686) is [1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCCN1c1cccc(C(F)(F)F)n1.
What is the InChIKey of [1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is XQPZDSBQTUMAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)14-6-1-7-15(20-14)22-9-3-4-12(22)10-21-8-2-5-13(21)11-23/h1,6-7,12-13,23H,2-5,8-11H2.
What are the key properties of [1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 329.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133378686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).