(2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone

C22H25F2NO2 — CID 70763469

IUPAC(2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(O)CCc3ccccc3)CC2)c(F)c1F
InChIInChI=1S/C22H25F2NO2/c1-15-7-9-18(21(24)20(15)23)22(27)25-13-11-17(12-14-25)19(26)10-8-16-5-3-2-4-6-16/h2-7,9,17,19,26H,8,10-14H2,1H3
InChIKeyWWJXRXYNUOXTSU-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.12
Rot. Bonds5

About (2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone

(2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone (PubChem CID 70763469) has the molecular formula C22H25F2NO2 and a molecular weight of 373.44 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
PubChem CID70763469
Molecular FormulaC22H25F2NO2
Molecular Weight373.44 g/mol
Exact Mass373.19
IUPAC Name(2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(O)CCc3ccccc3)CC2)c(F)c1F
InChIInChI=1S/C22H25F2NO2/c1-15-7-9-18(21(24)20(15)23)22(27)25-13-11-17(12-14-25)19(26)10-8-16-5-3-2-4-6-16/h2-7,9,17,19,26H,8,10-14H2,1H3
InChIKeyWWJXRXYNUOXTSU-UHFFFAOYSA-N
XLogP4.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone (CID 70763469) is (2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(C(O)CCc3ccccc3)CC2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone?
The InChIKey is WWJXRXYNUOXTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO2/c1-15-7-9-18(21(24)20(15)23)22(27)25-13-11-17(12-14-25)19(26)10-8-16-5-3-2-4-6-16/h2-7,9,17,19,26H,8,10-14H2,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone?
(2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone has a molecular weight of 373.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70763469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).