[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol

C15H24N2O — CID 114054998

IUPAC[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol
SMILESCNCc1cc(C)ccc1N1CCCC(CO)C1
InChIInChI=1S/C15H24N2O/c1-12-5-6-15(14(8-12)9-16-2)17-7-3-4-13(10-17)11-18/h5-6,8,13,16,18H,3-4,7,9-11H2,1-2H3
InChIKeyZBLILALUHCUPJO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.92
Rot. Bonds4

About [1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol

[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol (PubChem CID 114054998) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol
PubChem CID114054998
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol
SMILESCNCc1cc(C)ccc1N1CCCC(CO)C1
InChIInChI=1S/C15H24N2O/c1-12-5-6-15(14(8-12)9-16-2)17-7-3-4-13(10-17)11-18/h5-6,8,13,16,18H,3-4,7,9-11H2,1-2H3
InChIKeyZBLILALUHCUPJO-UHFFFAOYSA-N
XLogP1.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol (CID 114054998) is [1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol is CNCc1cc(C)ccc1N1CCCC(CO)C1.
What is the InChIKey of [1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol?
The InChIKey is ZBLILALUHCUPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-6-15(14(8-12)9-16-2)17-7-3-4-13(10-17)11-18/h5-6,8,13,16,18H,3-4,7,9-11H2,1-2H3.
What are the key properties of [1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol?
[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol has a molecular weight of 248.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 114054998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).