2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol

C15H23NO — CID 121451603

IUPAC2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol
SMILESCc1ccc(C2(CCO)CCN(C)CC2)cc1
InChIInChI=1S/C15H23NO/c1-13-3-5-14(6-4-13)15(9-12-17)7-10-16(2)11-8-15/h3-6,17H,7-12H2,1-2H3
InChIKeyAJQMGUFKCOKBFW-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.34
Rot. Bonds3

About 2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol

2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol (PubChem CID 121451603) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol
PubChem CID121451603
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol
SMILESCc1ccc(C2(CCO)CCN(C)CC2)cc1
InChIInChI=1S/C15H23NO/c1-13-3-5-14(6-4-13)15(9-12-17)7-10-16(2)11-8-15/h3-6,17H,7-12H2,1-2H3
InChIKeyAJQMGUFKCOKBFW-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol (CID 121451603) is 2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol is Cc1ccc(C2(CCO)CCN(C)CC2)cc1.
What is the InChIKey of 2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol?
The InChIKey is AJQMGUFKCOKBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-3-5-14(6-4-13)15(9-12-17)7-10-16(2)11-8-15/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol?
2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol has a molecular weight of 233.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 121451603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).