4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol

C16H20F3N5O — CID 56876835

IUPAC4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C16H20F3N5O/c17-16(18,19)3-1-13-2-6-21-14(22-13)24-8-4-15(25,5-9-24)11-23-10-7-20-12-23/h2,6-7,10,12,25H,1,3-5,8-9,11H2
InChIKeyJLFJCFYAXRIYOV-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.20
Rot. Bonds5

About 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol

4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 56876835) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID56876835
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C16H20F3N5O/c17-16(18,19)3-1-13-2-6-21-14(22-13)24-8-4-15(25,5-9-24)11-23-10-7-20-12-23/h2,6-7,10,12,25H,1,3-5,8-9,11H2
InChIKeyJLFJCFYAXRIYOV-UHFFFAOYSA-N
XLogP2.20
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol with MolForge

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Related Compounds

3-(Piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 70767573
1-[2-amino-6-(cis-3-hydroxycyclobutyl)pyrimidin-4-yl]-4-(1H-imidazol-1-ylmethyl)piperidin-4-ol
CID 91773156
N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862554
(1-methyl-1H-imidazol-2-yl){1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl}methanol
CID 56864248
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56872062
(3S*,4S*)-4-(4-morpholinyl)-1-[4-(3,3,3-trifluoropropyl)-2-pyrimidinyl]-3-pyrrolidinol
CID 56885891
4-(1H-imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol
CID 72881121
1-(2-Methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol
CID 138008358
1-(2,6-Diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol
CID 138022978
(3S*,4S*)-4-(4-methylpiperazin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 56862632
(3S*,4S*)-4-[(dimethylamino)methyl]-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol
CID 56872963
(R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 95463342

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol (CID 56876835) is 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol is OC1(Cn2ccnc2)CCN(c2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is JLFJCFYAXRIYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c17-16(18,19)3-1-13-2-6-21-14(22-13)24-8-4-15(25,5-9-24)11-23-10-7-20-12-23/h2,6-7,10,12,25H,1,3-5,8-9,11H2.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 355.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 56876835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).