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

C17H22F3N5O — CID 95463342

IUPAC(R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCn1ccnc1[C@H](O)C1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C17H22F3N5O/c1-24-11-8-21-15(24)14(26)12-4-9-25(10-5-12)16-22-7-3-13(23-16)2-6-17(18,19)20/h3,7-8,11-12,14,26H,2,4-6,9-10H2,1H3/t14-/m1/s1
InChIKeyBMADOVRLNMJQLQ-CQSZACIVSA-N
MW369.39 g/mol
LogP2.65
Rot. Bonds5

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

(R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 95463342) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is (R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID95463342
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC Name(R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCn1ccnc1[C@H](O)C1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C17H22F3N5O/c1-24-11-8-21-15(24)14(26)12-4-9-25(10-5-12)16-22-7-3-13(23-16)2-6-17(18,19)20/h3,7-8,11-12,14,26H,2,4-6,9-10H2,1H3/t14-/m1/s1
InChIKeyBMADOVRLNMJQLQ-CQSZACIVSA-N
XLogP2.65
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-{4-[4-(4,6-Diisopropyl-pyrimidin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11089997
2-[3-[2-Methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol
CID 110269642
1-[2-amino-6-(cis-3-hydroxycyclobutyl)pyrimidin-4-yl]-4-(1H-imidazol-1-ylmethyl)piperidin-4-ol
CID 91773156
(1-methyl-1H-imidazol-2-yl){1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl}methanol
CID 56864248
2-{1-Methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperazin-2-YL}ethanol
CID 56865786
2-{2-[2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1H-imidazol-1-yl]ethyl}-4-methyl-6-(trifluoromethyl)pyrimidine
CID 56867904
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56872062
4-(1H-imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
CID 56876835
(3S*,4S*)-4-(4-morpholinyl)-1-[4-(3,3,3-trifluoropropyl)-2-pyrimidinyl]-3-pyrrolidinol
CID 56885891
3-(2-amino-6-{methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91764763
3-{2-Amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl}cyclobutanol
CID 91776065
3-(6-{[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91796969

Frequently Asked Questions

What is the IUPAC name of (R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of (R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol (CID 95463342) is (R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for (R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for (R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol is Cn1ccnc1[C@H](O)C1CCN(c2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of (R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is BMADOVRLNMJQLQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-24-11-8-21-15(24)14(26)12-4-9-25(10-5-12)16-22-7-3-13(23-16)2-6-17(18,19)20/h3,7-8,11-12,14,26H,2,4-6,9-10H2,1H3/t14-/m1/s1.
What are the key properties of (R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
(R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 369.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1-methylimidazol-2-yl)-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 95463342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).