2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol

C16H24F3N3OS — CID 155302522

IUPAC2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C16H24F3N3OS/c1-11-7-13(23)4-6-21(11)8-12-3-2-5-22(9-12)15-20-14(10-24-15)16(17,18)19/h10-13,23H,2-9H2,1H3
InChIKeyJVCVHZRBSQDUIQ-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.22
Rot. Bonds3

About 2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol

2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol (PubChem CID 155302522) has the molecular formula C16H24F3N3OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol
PubChem CID155302522
Molecular FormulaC16H24F3N3OS
Molecular Weight363.45 g/mol
Exact Mass363.16
IUPAC Name2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C16H24F3N3OS/c1-11-7-13(23)4-6-21(11)8-12-3-2-5-22(9-12)15-20-14(10-24-15)16(17,18)19/h10-13,23H,2-9H2,1H3
InChIKeyJVCVHZRBSQDUIQ-UHFFFAOYSA-N
XLogP3.22
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.22
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)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol (CID 155302522) is 2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol is CC1CC(O)CCN1CC1CCCN(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol?
The InChIKey is JVCVHZRBSQDUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3OS/c1-11-7-13(23)4-6-21(11)8-12-3-2-5-22(9-12)15-20-14(10-24-15)16(17,18)19/h10-13,23H,2-9H2,1H3.
What are the key properties of 2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol?
2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol has a molecular weight of 363.45 g/mol, XLogP of 3.22, 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)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 155302522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).