2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol

C17H28N2O2 — CID 104584163

IUPAC2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NCC2(C)CCN(C)CC2)c(O)c1
InChIInChI=1S/C17H28N2O2/c1-13(15-6-5-14(21-4)11-16(15)20)18-12-17(2)7-9-19(3)10-8-17/h5-6,11,13,18,20H,7-10,12H2,1-4H3
InChIKeyXEOOBNAKXFPOMX-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.78
Rot. Bonds5

About 2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol

2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol (PubChem CID 104584163) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol
PubChem CID104584163
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NCC2(C)CCN(C)CC2)c(O)c1
InChIInChI=1S/C17H28N2O2/c1-13(15-6-5-14(21-4)11-16(15)20)18-12-17(2)7-9-19(3)10-8-17/h5-6,11,13,18,20H,7-10,12H2,1-4H3
InChIKeyXEOOBNAKXFPOMX-UHFFFAOYSA-N
XLogP2.78
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
CID 104583357
5-methoxy-2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenol
CID 104583453
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82979886
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82982908
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
5-methoxy-2-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenol
CID 80682269
2-[1-(2-chloroprop-2-enylamino)ethyl]-5-methoxyphenol
CID 104583240
5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141611
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol (CID 104584163) is 2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol is COc1ccc(C(C)NCC2(C)CCN(C)CC2)c(O)c1.
What is the InChIKey of 2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol?
The InChIKey is XEOOBNAKXFPOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(15-6-5-14(21-4)11-16(15)20)18-12-17(2)7-9-19(3)10-8-17/h5-6,11,13,18,20H,7-10,12H2,1-4H3.
What are the key properties of 2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol?
2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol has a molecular weight of 292.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol is sourced from PubChem (CID 104584163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).