2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol

C14H22N2O2 — CID 61296269

IUPAC2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CN2CCCC(N)C2)c1O
InChIInChI=1S/C14H22N2O2/c1-2-18-13-7-3-5-11(14(13)17)9-16-8-4-6-12(15)10-16/h3,5,7,12,17H,2,4,6,8-10,15H2,1H3
InChIKeyQVBDFTZBRUMVHH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.71
Rot. Bonds4

About 2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol

2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol (PubChem CID 61296269) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
PubChem CID61296269
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CN2CCCC(N)C2)c1O
InChIInChI=1S/C14H22N2O2/c1-2-18-13-7-3-5-11(14(13)17)9-16-8-4-6-12(15)10-16/h3,5,7,12,17H,2,4,6,8-10,15H2,1H3
InChIKeyQVBDFTZBRUMVHH-UHFFFAOYSA-N
XLogP1.71
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.71
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

2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
CID 65244962
2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82966226
1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 103881491
(4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25455195
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
2-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 45241710
(3-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25298707
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
2-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
CID 45241251
2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
CID 51907434

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol?
The IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol (CID 61296269) is 2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol is CCOc1cccc(CN2CCCC(N)C2)c1O.
What is the InChIKey of 2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol?
The InChIKey is QVBDFTZBRUMVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-18-13-7-3-5-11(14(13)17)9-16-8-4-6-12(15)10-16/h3,5,7,12,17H,2,4,6,8-10,15H2,1H3.
What are the key properties of 2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol?
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol has a molecular weight of 250.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol is sourced from PubChem (CID 61296269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).