4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol

C16H26N2O — CID 79707959

IUPAC4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)CC2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-12-4-5-16(19)15(10-12)13(2)18(3)11-14-6-8-17-9-7-14/h4-5,10,13-14,17,19H,6-9,11H2,1-3H3
InChIKeyZWBRMHDDDFXRMA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds4

About 4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol

4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol (PubChem CID 79707959) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
PubChem CID79707959
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)CC2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-12-4-5-16(19)15(10-12)13(2)18(3)11-14-6-8-17-9-7-14/h4-5,10,13-14,17,19H,6-9,11H2,1-3H3
InChIKeyZWBRMHDDDFXRMA-UHFFFAOYSA-N
XLogP2.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
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-3-ylmethyl)amino]ethyl]phenol
CID 106623736
4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol
CID 82980214
4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 79707423
4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82985965
N-[1-(2,4-dimethylphenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698904
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79707420
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
CID 106599046
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906876
2-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]phenol
CID 79715840
4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
CID 106623363

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol (CID 79707959) is 4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol is Cc1ccc(O)c(C(C)N(C)CC2CCNCC2)c1.
What is the InChIKey of 4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol?
The InChIKey is ZWBRMHDDDFXRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-4-5-16(19)15(10-12)13(2)18(3)11-14-6-8-17-9-7-14/h4-5,10,13-14,17,19H,6-9,11H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol?
4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol is sourced from PubChem (CID 79707959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).