2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol

C16H26N2O2 — CID 82977269

IUPAC2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CN2CCC(N(C)C)CC2)c1O
InChIInChI=1S/C16H26N2O2/c1-4-20-15-7-5-6-13(16(15)19)12-18-10-8-14(9-11-18)17(2)3/h5-7,14,19H,4,8-12H2,1-3H3
InChIKeyAABJKFBVCZOIOI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.32
Rot. Bonds5

About 2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol

2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol (PubChem CID 82977269) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
PubChem CID82977269
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CN2CCC(N(C)C)CC2)c1O
InChIInChI=1S/C16H26N2O2/c1-4-20-15-7-5-6-13(16(15)19)12-18-10-8-14(9-11-18)17(2)3/h5-7,14,19H,4,8-12H2,1-3H3
InChIKeyAABJKFBVCZOIOI-UHFFFAOYSA-N
XLogP2.32
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
CID 65244962
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 103881491
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82966226
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 30137372
3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381460
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82980200
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-6-ethoxyphenol
CID 103887046

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol?
The IUPAC name of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol (CID 82977269) is 2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol is CCOc1cccc(CN2CCC(N(C)C)CC2)c1O.
What is the InChIKey of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol?
The InChIKey is AABJKFBVCZOIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-15-7-5-6-13(16(15)19)12-18-10-8-14(9-11-18)17(2)3/h5-7,14,19H,4,8-12H2,1-3H3.
What are the key properties of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol?
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol has a molecular weight of 278.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol is sourced from PubChem (CID 82977269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).