2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol

C16H25NO — CID 115058920

IUPAC2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol
SMILESCC(C)CC1(Cc2ccccc2O)CCCCN1
InChIInChI=1S/C16H25NO/c1-13(2)11-16(9-5-6-10-17-16)12-14-7-3-4-8-15(14)18/h3-4,7-8,13,17-18H,5-6,9-12H2,1-2H3
InChIKeyLVUTVHYLHBIUTF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.49
Rot. Bonds4

About 2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol

2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol (PubChem CID 115058920) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol
PubChem CID115058920
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol
SMILESCC(C)CC1(Cc2ccccc2O)CCCCN1
InChIInChI=1S/C16H25NO/c1-13(2)11-16(9-5-6-10-17-16)12-14-7-3-4-8-15(14)18/h3-4,7-8,13,17-18H,5-6,9-12H2,1-2H3
InChIKeyLVUTVHYLHBIUTF-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol?
The IUPAC name of 2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol (CID 115058920) is 2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol?
The canonical SMILES for 2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol is CC(C)CC1(Cc2ccccc2O)CCCCN1.
What is the InChIKey of 2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol?
The InChIKey is LVUTVHYLHBIUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)11-16(9-5-6-10-17-16)12-14-7-3-4-8-15(14)18/h3-4,7-8,13,17-18H,5-6,9-12H2,1-2H3.
What are the key properties of 2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol?
2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol is sourced from PubChem (CID 115058920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).