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

C16H23F3N4O — CID 155302681

IUPAC2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCN(c2cncnc2C(F)(F)F)C1
InChIInChI=1S/C16H23F3N4O/c1-11-6-13(24)3-5-22(11)8-12-2-4-23(9-12)14-7-20-10-21-15(14)16(17,18)19/h7,10-13,24H,2-6,8-9H2,1H3
InChIKeyWKNKEXRFTIRIGR-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol

2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol (PubChem CID 155302681) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
PubChem CID155302681
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCN(c2cncnc2C(F)(F)F)C1
InChIInChI=1S/C16H23F3N4O/c1-11-6-13(24)3-5-22(11)8-12-2-4-23(9-12)14-7-20-10-21-15(14)16(17,18)19/h7,10-13,24H,2-6,8-9H2,1H3
InChIKeyWKNKEXRFTIRIGR-UHFFFAOYSA-N
XLogP2.17
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol (CID 155302681) is 2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol is CC1CC(O)CCN1CC1CCN(c2cncnc2C(F)(F)F)C1.
What is the InChIKey of 2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The InChIKey is WKNKEXRFTIRIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-11-6-13(24)3-5-22(11)8-12-2-4-23(9-12)14-7-20-10-21-15(14)16(17,18)19/h7,10-13,24H,2-6,8-9H2,1H3.
What are the key properties of 2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol has a molecular weight of 344.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 155302681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).