(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol

C16H20FN3O2 — CID 110146335

IUPAC(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol
SMILESC[C@@]1(O)CCN(Cc2ccn[nH]2)C[C@H]1Oc1cccc(F)c1
InChIInChI=1S/C16H20FN3O2/c1-16(21)6-8-20(10-13-5-7-18-19-13)11-15(16)22-14-4-2-3-12(17)9-14/h2-5,7,9,15,21H,6,8,10-11H2,1H3,(H,18,19)/t15-,16-/m1/s1
InChIKeyPUXNEOYBDZOSFG-HZPDHXFCSA-N
MW305.35 g/mol
LogP1.95
Rot. Bonds4

About (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol

(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol (PubChem CID 110146335) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol
PubChem CID110146335
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol
SMILESC[C@@]1(O)CCN(Cc2ccn[nH]2)C[C@H]1Oc1cccc(F)c1
InChIInChI=1S/C16H20FN3O2/c1-16(21)6-8-20(10-13-5-7-18-19-13)11-15(16)22-14-4-2-3-12(17)9-14/h2-5,7,9,15,21H,6,8,10-11H2,1H3,(H,18,19)/t15-,16-/m1/s1
InChIKeyPUXNEOYBDZOSFG-HZPDHXFCSA-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 (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol?
The IUPAC name of (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol (CID 110146335) is (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol is C[C@@]1(O)CCN(Cc2ccn[nH]2)C[C@H]1Oc1cccc(F)c1.
What is the InChIKey of (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol?
The InChIKey is PUXNEOYBDZOSFG-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-16(21)6-8-20(10-13-5-7-18-19-13)11-15(16)22-14-4-2-3-12(17)9-14/h2-5,7,9,15,21H,6,8,10-11H2,1H3,(H,18,19)/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol?
(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-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 (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 110146335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).