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

C17H29NO — CID 144801902

IUPACethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol
SMILESCC.Cc1ccc(C2(C(C)O)CCN(C)CC2)cc1
InChIInChI=1S/C15H23NO.C2H6/c1-12-4-6-14(7-5-12)15(13(2)17)8-10-16(3)11-9-15;1-2/h4-7,13,17H,8-11H2,1-3H3;1-2H3
InChIKeyQCXNDRULTJYTLB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.37
Rot. Bonds2

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

ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol (PubChem CID 144801902) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Nameethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol
PubChem CID144801902
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Nameethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol
SMILESCC.Cc1ccc(C2(C(C)O)CCN(C)CC2)cc1
InChIInChI=1S/C15H23NO.C2H6/c1-12-4-6-14(7-5-12)15(13(2)17)8-10-16(3)11-9-15;1-2/h4-7,13,17H,8-11H2,1-3H3;1-2H3
InChIKeyQCXNDRULTJYTLB-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol?
The IUPAC name of ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol (CID 144801902) is ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol?
The canonical SMILES for ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol is CC.Cc1ccc(C2(C(C)O)CCN(C)CC2)cc1.
What is the InChIKey of ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol?
The InChIKey is QCXNDRULTJYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C2H6/c1-12-4-6-14(7-5-12)15(13(2)17)8-10-16(3)11-9-15;1-2/h4-7,13,17H,8-11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol?
ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol has a molecular weight of 263.43 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 144801902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).