(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol

C18H22F3N3O2 — CID 99639116

IUPAC(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
SMILESCn1ccnc1[C@H](O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F3N3O2/c1-23-11-8-22-17(23)16(25)14-6-9-24(10-7-14)12-13-2-4-15(5-3-13)26-18(19,20)21/h2-5,8,11,14,16,25H,6-7,9-10,12H2,1H3/t16-/m1/s1
InChIKeyJELRFAMUMVWTAX-MRXNPFEDSA-N
MW369.39 g/mol
LogP3.26
Rot. Bonds5

About (R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol

(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 99639116) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is (R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID99639116
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
SMILESCn1ccnc1[C@H](O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F3N3O2/c1-23-11-8-22-17(23)16(25)14-6-9-24(10-7-14)12-13-2-4-15(5-3-13)26-18(19,20)21/h2-5,8,11,14,16,25H,6-7,9-10,12H2,1H3/t16-/m1/s1
InChIKeyJELRFAMUMVWTAX-MRXNPFEDSA-N
XLogP3.26
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of (R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol (CID 99639116) is (R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for (R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for (R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol is Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of (R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is JELRFAMUMVWTAX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-23-11-8-22-17(23)16(25)14-6-9-24(10-7-14)12-13-2-4-15(5-3-13)26-18(19,20)21/h2-5,8,11,14,16,25H,6-7,9-10,12H2,1H3/t16-/m1/s1.
What are the key properties of (R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol?
(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 369.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 99639116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).