(3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol

C16H20FN3O2 — CID 110145921

IUPAC(3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol
SMILESC[C@]1(O)CN(Cc2ncc[nH]2)CC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C16H20FN3O2/c1-16(21)11-20(10-15-18-6-7-19-15)8-5-14(16)22-13-4-2-3-12(17)9-13/h2-4,6-7,9,14,21H,5,8,10-11H2,1H3,(H,18,19)/t14-,16-/m0/s1
InChIKeyFJNXPYJJTXUUCK-HOCLYGCPSA-N
MW305.35 g/mol
LogP1.95
Rot. Bonds4

About (3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol

(3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol (PubChem CID 110145921) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol
PubChem CID110145921
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol
SMILESC[C@]1(O)CN(Cc2ncc[nH]2)CC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C16H20FN3O2/c1-16(21)11-20(10-15-18-6-7-19-15)8-5-14(16)22-13-4-2-3-12(17)9-13/h2-4,6-7,9,14,21H,5,8,10-11H2,1H3,(H,18,19)/t14-,16-/m0/s1
InChIKeyFJNXPYJJTXUUCK-HOCLYGCPSA-N
XLogP1.95
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol (CID 110145921) is (3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol is C[C@]1(O)CN(Cc2ncc[nH]2)CC[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of (3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol?
The InChIKey is FJNXPYJJTXUUCK-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-16(21)11-20(10-15-18-6-7-19-15)8-5-14(16)22-13-4-2-3-12(17)9-13/h2-4,6-7,9,14,21H,5,8,10-11H2,1H3,(H,18,19)/t14-,16-/m0/s1.
What are the key properties of (3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol?
(3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol has a molecular weight of 305.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3-fluorophenoxy)-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 110145921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).