(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol

C19H23FN2O2 — CID 110146554

IUPAC(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol
SMILESCc1cnccc1CN1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C19H23FN2O2/c1-14-11-21-8-6-15(14)12-22-9-7-19(2,23)18(13-22)24-17-5-3-4-16(20)10-17/h3-6,8,10-11,18,23H,7,9,12-13H2,1-2H3/t18-,19-/m1/s1
InChIKeyCYEPZROCGNNFSP-RTBURBONSA-N
MW330.40 g/mol
LogP2.93
Rot. Bonds4

About (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol

(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol (PubChem CID 110146554) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol
PubChem CID110146554
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol
SMILESCc1cnccc1CN1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C19H23FN2O2/c1-14-11-21-8-6-15(14)12-22-9-7-19(2,23)18(13-22)24-17-5-3-4-16(20)10-17/h3-6,8,10-11,18,23H,7,9,12-13H2,1-2H3/t18-,19-/m1/s1
InChIKeyCYEPZROCGNNFSP-RTBURBONSA-N
XLogP2.93
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
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-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol?
The IUPAC name of (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol (CID 110146554) is (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol is Cc1cnccc1CN1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1.
What is the InChIKey of (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol?
The InChIKey is CYEPZROCGNNFSP-RTBURBONSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-11-21-8-6-15(14)12-22-9-7-19(2,23)18(13-22)24-17-5-3-4-16(20)10-17/h3-6,8,10-11,18,23H,7,9,12-13H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol?
(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol has a molecular weight of 330.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 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-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol is sourced from PubChem (CID 110146554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).