2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol

C16H25NO — CID 134892020

IUPAC2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol
SMILESCc1cc(C(C)(C)N2CCCCC2)cc(C)c1O
InChIInChI=1S/C16H25NO/c1-12-10-14(11-13(2)15(12)18)16(3,4)17-8-6-5-7-9-17/h10-11,18H,5-9H2,1-4H3
InChIKeyFRIKNCAEYQCOHK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.73
Rot. Bonds2

About 2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol

2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol (PubChem CID 134892020) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol
PubChem CID134892020
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol
SMILESCc1cc(C(C)(C)N2CCCCC2)cc(C)c1O
InChIInChI=1S/C16H25NO/c1-12-10-14(11-13(2)15(12)18)16(3,4)17-8-6-5-7-9-17/h10-11,18H,5-9H2,1-4H3
InChIKeyFRIKNCAEYQCOHK-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol?
The IUPAC name of 2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol (CID 134892020) is 2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol?
The canonical SMILES for 2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol is Cc1cc(C(C)(C)N2CCCCC2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol?
The InChIKey is FRIKNCAEYQCOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-10-14(11-13(2)15(12)18)16(3,4)17-8-6-5-7-9-17/h10-11,18H,5-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol?
2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol has a molecular weight of 247.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol is sourced from PubChem (CID 134892020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).