4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol

C17H28N2O — CID 82980214

IUPAC4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)CC2CCN(C)CC2)c1
InChIInChI=1S/C17H28N2O/c1-13-5-6-17(20)16(11-13)14(2)19(4)12-15-7-9-18(3)10-8-15/h5-6,11,14-15,20H,7-10,12H2,1-4H3
InChIKeyLVSDQRRIFUJSFO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.04
Rot. Bonds4

About 4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol

4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol (PubChem CID 82980214) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol
PubChem CID82980214
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)CC2CCN(C)CC2)c1
InChIInChI=1S/C17H28N2O/c1-13-5-6-17(20)16(11-13)14(2)19(4)12-15-7-9-18(3)10-8-15/h5-6,11,14-15,20H,7-10,12H2,1-4H3
InChIKeyLVSDQRRIFUJSFO-UHFFFAOYSA-N
XLogP3.04
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
CID 79707959
4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 106623736
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol
CID 63236873
4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol
CID 82979913
4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 61210661
4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
CID 63250598
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol
CID 169123079
4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82985965
4-methyl-2-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 63324621
4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol
CID 82983452
2-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-4-methylphenol
CID 79645093

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol (CID 82980214) is 4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol is Cc1ccc(O)c(C(C)N(C)CC2CCN(C)CC2)c1.
What is the InChIKey of 4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol?
The InChIKey is LVSDQRRIFUJSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-5-6-17(20)16(11-13)14(2)19(4)12-15-7-9-18(3)10-8-15/h5-6,11,14-15,20H,7-10,12H2,1-4H3.
What are the key properties of 4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol?
4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol is sourced from PubChem (CID 82980214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).