(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol

C19H23FN2O2 — CID 110145959

IUPAC(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol
SMILESCc1cccnc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1
InChIInChI=1S/C19H23FN2O2/c1-14-5-4-9-21-17(14)12-22-10-8-18(19(2,23)13-22)24-16-7-3-6-15(20)11-16/h3-7,9,11,18,23H,8,10,12-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyZWCWTBPIOCBLBQ-OALUTQOASA-N
MW330.40 g/mol
LogP2.93
Rot. Bonds4

About (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol

(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol (PubChem CID 110145959) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol
PubChem CID110145959
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol
SMILESCc1cccnc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1
InChIInChI=1S/C19H23FN2O2/c1-14-5-4-9-21-17(14)12-22-10-8-18(19(2,23)13-22)24-16-7-3-6-15(20)11-16/h3-7,9,11,18,23H,8,10,12-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyZWCWTBPIOCBLBQ-OALUTQOASA-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 (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol (CID 110145959) is (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol is Cc1cccnc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1.
What is the InChIKey of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol?
The InChIKey is ZWCWTBPIOCBLBQ-OALUTQOASA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-5-4-9-21-17(14)12-22-10-8-18(19(2,23)13-22)24-16-7-3-6-15(20)11-16/h3-7,9,11,18,23H,8,10,12-13H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol?
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-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 (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol is sourced from PubChem (CID 110145959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).