2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol

C15H24N2O2 — CID 55217645

IUPAC2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCC(C(C)N)CC2)c1
InChIInChI=1S/C15H24N2O2/c1-11(16)12-5-7-17(8-6-12)10-13-9-14(19-2)3-4-15(13)18/h3-4,9,11-12,18H,5-8,10,16H2,1-2H3
InChIKeyFKLZUTQMTKEYLT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds4

About 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol

2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol (PubChem CID 55217645) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
PubChem CID55217645
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCC(C(C)N)CC2)c1
InChIInChI=1S/C15H24N2O2/c1-11(16)12-5-7-17(8-6-12)10-13-9-14(19-2)3-4-15(13)18/h3-4,9,11-12,18H,5-8,10,16H2,1-2H3
InChIKeyFKLZUTQMTKEYLT-UHFFFAOYSA-N
XLogP1.96
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975675
2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol
CID 63596519
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide
CID 42236999
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364
2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065719
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111824353

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol (CID 55217645) is 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol is COc1ccc(O)c(CN2CCC(C(C)N)CC2)c1.
What is the InChIKey of 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol?
The InChIKey is FKLZUTQMTKEYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(16)12-5-7-17(8-6-12)10-13-9-14(19-2)3-4-15(13)18/h3-4,9,11-12,18H,5-8,10,16H2,1-2H3.
What are the key properties of 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol?
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol has a molecular weight of 264.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol is sourced from PubChem (CID 55217645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).