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

C15H21F3N4O — CID 70767573

IUPAC3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)12-4-6-19-13(20-12)22-9-5-14(23,11-22)10-21-7-2-1-3-8-21/h4,6,23H,1-3,5,7-11H2
InChIKeyJXCBAJOYGFSRBR-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.92
Rot. Bonds3

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

3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 70767573) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID70767573
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)12-4-6-19-13(20-12)22-9-5-14(23,11-22)10-21-7-2-1-3-8-21/h4,6,23H,1-3,5,7-11H2
InChIKeyJXCBAJOYGFSRBR-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-Isopropylpyrimidin-4-YL)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70712049
3-[(Dimethylamino)methyl]-1-[(2-isopropyl-4-pyrimidinyl)methyl]-3-piperidinol
CID 70736990
1-[(2-Isopropylpyrimidin-4-YL)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70778617
4-Methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432365
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133907881
2-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazino}ethan-1-ol
CID 2795979
[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 47084461
1-[4-[[Methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 53616828
4-(1H-imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
CID 56876835
[(3R,4R)-4-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
CID 70731289
4-(1H-imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol
CID 72881121

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (CID 70767573) is 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is OC1(CN2CCCCC2)CCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is JXCBAJOYGFSRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c16-15(17,18)12-4-6-19-13(20-12)22-9-5-14(23,11-22)10-21-7-2-1-3-8-21/h4,6,23H,1-3,5,7-11H2.
What are the key properties of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 330.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 70767573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).