[3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol

C15H22F3N3O — CID 56871761

IUPAC[3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C15H22F3N3O/c1-2-14(11-22)6-3-9-21(10-14)13-19-8-5-12(20-13)4-7-15(16,17)18/h5,8,22H,2-4,6-7,9-11H2,1H3
InChIKeyCNAOTQDZPCQXJP-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.96
Rot. Bonds5

About [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol

[3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol (PubChem CID 56871761) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol
PubChem CID56871761
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name[3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C15H22F3N3O/c1-2-14(11-22)6-3-9-21(10-14)13-19-8-5-12(20-13)4-7-15(16,17)18/h5,8,22H,2-4,6-7,9-11H2,1H3
InChIKeyCNAOTQDZPCQXJP-UHFFFAOYSA-N
XLogP2.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

{3-(2-Fluorobenzyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 56748960
[1-({Methyl[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)cyclopropyl]methanol
CID 56917961
{3-(Cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 70721153
[1-(4-Ethyl-5-methyl-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72848953
(1R*,3S*)-7-(4-ethyl-5-methyl-2-pyrimidinyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72891186
2-[4-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol
CID 110090207
(2S)-1,1,1-trifluoro-3-pyrimidin-4-ylpropan-2-ol
CID 102146121
1-(4-Cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
CID 56752306
(1-{[(4-Cyclopentylpyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 56861289
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
2-{1-Methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperazin-2-YL}ethanol
CID 56865786
(3-Endo)-8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 56869053

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol (CID 56871761) is [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol is CCC1(CO)CCCN(c2nccc(CCC(F)(F)F)n2)C1.
What is the InChIKey of [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The InChIKey is CNAOTQDZPCQXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-2-14(11-22)6-3-9-21(10-14)13-19-8-5-12(20-13)4-7-15(16,17)18/h5,8,22H,2-4,6-7,9-11H2,1H3.
What are the key properties of [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
[3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol has a molecular weight of 317.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 56871761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).