(3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol

C19H22FNO2 — CID 13469617

IUPAC(3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol
SMILESCOc1ccccc1[C@@]1(O)CCN(C)C[C@@H]1c1ccccc1F
InChIInChI=1S/C19H22FNO2/c1-21-12-11-19(22,15-8-4-6-10-18(15)23-2)16(13-21)14-7-3-5-9-17(14)20/h3-10,16,22H,11-13H2,1-2H3/t16-,19+/m1/s1
InChIKeyMWAJPFVBBFBFSC-APWZRJJASA-N
MW315.39 g/mol
LogP3.14
Rot. Bonds3

About (3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol

(3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol (PubChem CID 13469617) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is (3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol
PubChem CID13469617
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name(3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol
SMILESCOc1ccccc1[C@@]1(O)CCN(C)C[C@@H]1c1ccccc1F
InChIInChI=1S/C19H22FNO2/c1-21-12-11-19(22,15-8-4-6-10-18(15)23-2)16(13-21)14-7-3-5-9-17(14)20/h3-10,16,22H,11-13H2,1-2H3/t16-,19+/m1/s1
InChIKeyMWAJPFVBBFBFSC-APWZRJJASA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol?
The IUPAC name of (3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol (CID 13469617) is (3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol is COc1ccccc1[C@@]1(O)CCN(C)C[C@@H]1c1ccccc1F.
What is the InChIKey of (3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol?
The InChIKey is MWAJPFVBBFBFSC-APWZRJJASA-N. The full InChI is InChI=1S/C19H22FNO2/c1-21-12-11-19(22,15-8-4-6-10-18(15)23-2)16(13-21)14-7-3-5-9-17(14)20/h3-10,16,22H,11-13H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of (3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol?
(3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol has a molecular weight of 315.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(2-fluorophenyl)-4-(2-methoxyphenyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 13469617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).