4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol

C15H21F2NO — CID 82819297

IUPAC4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol
SMILESCc1ccc(F)c(C2(O)CCN(C(C)C)CC2)c1F
InChIInChI=1S/C15H21F2NO/c1-10(2)18-8-6-15(19,7-9-18)13-12(16)5-4-11(3)14(13)17/h4-5,10,19H,6-9H2,1-3H3
InChIKeyGNTAWUHNAVCGLN-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.97
Rot. Bonds2

About 4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol

4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol (PubChem CID 82819297) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol
PubChem CID82819297
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol
SMILESCc1ccc(F)c(C2(O)CCN(C(C)C)CC2)c1F
InChIInChI=1S/C15H21F2NO/c1-10(2)18-8-6-15(19,7-9-18)13-12(16)5-4-11(3)14(13)17/h4-5,10,19H,6-9H2,1-3H3
InChIKeyGNTAWUHNAVCGLN-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol (CID 82819297) is 4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol is Cc1ccc(F)c(C2(O)CCN(C(C)C)CC2)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol?
The InChIKey is GNTAWUHNAVCGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(2)18-8-6-15(19,7-9-18)13-12(16)5-4-11(3)14(13)17/h4-5,10,19H,6-9H2,1-3H3.
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol?
4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol has a molecular weight of 269.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 82819297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).