1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol

C15H21F3N4O — CID 157038998

IUPAC1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCN(c3cncnc3C(F)(F)F)C2)CC1
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)14-13(7-19-10-20-14)22-6-1-11(9-22)8-21-4-2-12(23)3-5-21/h7,10-12,23H,1-6,8-9H2
InChIKeyCBPHAYYNWWHMSG-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.78
Rot. Bonds3

About 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol

1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol (PubChem CID 157038998) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
PubChem CID157038998
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCN(c3cncnc3C(F)(F)F)C2)CC1
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)14-13(7-19-10-20-14)22-6-1-11(9-22)8-21-4-2-12(23)3-5-21/h7,10-12,23H,1-6,8-9H2
InChIKeyCBPHAYYNWWHMSG-UHFFFAOYSA-N
XLogP1.78
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol (CID 157038998) is 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol is OC1CCN(CC2CCN(c3cncnc3C(F)(F)F)C2)CC1.
What is the InChIKey of 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The InChIKey is CBPHAYYNWWHMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c16-15(17,18)14-13(7-19-10-20-14)22-6-1-11(9-22)8-21-4-2-12(23)3-5-21/h7,10-12,23H,1-6,8-9H2.
What are the key properties of 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol has a molecular weight of 330.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 157038998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).