(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol

C17H22FN3O2 — CID 110145939

IUPAC(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol
SMILESCn1cncc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1
InChIInChI=1S/C17H22FN3O2/c1-17(22)11-21(10-14-9-19-12-20(14)2)7-6-16(17)23-15-5-3-4-13(18)8-15/h3-5,8-9,12,16,22H,6-7,10-11H2,1-2H3/t16-,17-/m0/s1
InChIKeyKIWDMWFDSOWDLT-IRXDYDNUSA-N
MW319.38 g/mol
LogP1.96
Rot. Bonds4

About (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol

(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol (PubChem CID 110145939) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol
PubChem CID110145939
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol
SMILESCn1cncc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1
InChIInChI=1S/C17H22FN3O2/c1-17(22)11-21(10-14-9-19-12-20(14)2)7-6-16(17)23-15-5-3-4-13(18)8-15/h3-5,8-9,12,16,22H,6-7,10-11H2,1-2H3/t16-,17-/m0/s1
InChIKeyKIWDMWFDSOWDLT-IRXDYDNUSA-N
XLogP1.96
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol (CID 110145939) is (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol is Cn1cncc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1.
What is the InChIKey of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is KIWDMWFDSOWDLT-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-17(22)11-21(10-14-9-19-12-20(14)2)7-6-16(17)23-15-5-3-4-13(18)8-15/h3-5,8-9,12,16,22H,6-7,10-11H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol?
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 319.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 110145939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).