[4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol

C16H25NO — CID 66024977

IUPAC[4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol
SMILESCc1cc(C)c(CC2(CO)CCNCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-8-13(2)15(14(3)9-12)10-16(11-18)4-6-17-7-5-16/h8-9,17-18H,4-7,10-11H2,1-3H3
InChIKeyCXGMLRJBWRGILX-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.52
Rot. Bonds3

About [4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol

[4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 66024977) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol
PubChem CID66024977
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol
SMILESCc1cc(C)c(CC2(CO)CCNCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-8-13(2)15(14(3)9-12)10-16(11-18)4-6-17-7-5-16/h8-9,17-18H,4-7,10-11H2,1-3H3
InChIKeyCXGMLRJBWRGILX-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol (CID 66024977) is [4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol is Cc1cc(C)c(CC2(CO)CCNCC2)c(C)c1.
What is the InChIKey of [4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is CXGMLRJBWRGILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-13(2)15(14(3)9-12)10-16(11-18)4-6-17-7-5-16/h8-9,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of [4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol?
[4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 247.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 66024977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).