(3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol

C19H22FNO — CID 13469619

IUPAC(3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol
SMILESCc1ccc([C@@]2(O)CCN(C)C[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C19H22FNO/c1-14-7-9-15(10-8-14)19(22)11-12-21(2)13-17(19)16-5-3-4-6-18(16)20/h3-10,17,22H,11-13H2,1-2H3/t17-,19+/m1/s1
InChIKeyDCMFEEYPNCENGY-MJGOQNOKSA-N
MW299.39 g/mol
LogP3.44
Rot. Bonds2

About (3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol

(3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol (PubChem CID 13469619) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is (3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol
PubChem CID13469619
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name(3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol
SMILESCc1ccc([C@@]2(O)CCN(C)C[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C19H22FNO/c1-14-7-9-15(10-8-14)19(22)11-12-21(2)13-17(19)16-5-3-4-6-18(16)20/h3-10,17,22H,11-13H2,1-2H3/t17-,19+/m1/s1
InChIKeyDCMFEEYPNCENGY-MJGOQNOKSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol?
The IUPAC name of (3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol (CID 13469619) is (3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol?
The canonical SMILES for (3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol is Cc1ccc([C@@]2(O)CCN(C)C[C@@H]2c2ccccc2F)cc1.
What is the InChIKey of (3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol?
The InChIKey is DCMFEEYPNCENGY-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H22FNO/c1-14-7-9-15(10-8-14)19(22)11-12-21(2)13-17(19)16-5-3-4-6-18(16)20/h3-10,17,22H,11-13H2,1-2H3/t17-,19+/m1/s1.
What are the key properties of (3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol?
(3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol has a molecular weight of 299.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(2-fluorophenyl)-1-methyl-4-(4-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 13469619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).