2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol

C15H25N3O — CID 62776718

IUPAC2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
SMILESCC(C)CN1CCN(Cc2ccc(O)c(N)c2)CC1
InChIInChI=1S/C15H25N3O/c1-12(2)10-17-5-7-18(8-6-17)11-13-3-4-15(19)14(16)9-13/h3-4,9,12,19H,5-8,10-11,16H2,1-2H3
InChIKeyLWTXLGXYOPYMJI-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol

2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol (PubChem CID 62776718) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
PubChem CID62776718
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
SMILESCC(C)CN1CCN(Cc2ccc(O)c(N)c2)CC1
InChIInChI=1S/C15H25N3O/c1-12(2)10-17-5-7-18(8-6-17)11-13-3-4-15(19)14(16)9-13/h3-4,9,12,19H,5-8,10-11,16H2,1-2H3
InChIKeyLWTXLGXYOPYMJI-UHFFFAOYSA-N
XLogP1.75
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(azepan-1-ylmethyl)phenol;dihydrobromide
CID 47003390
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
2-amino-4-(thiomorpholin-4-ylmethyl)phenol
CID 43375800
2-amino-4-[(4,4-dimethylazepan-1-yl)methyl]phenol
CID 65283266
2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 78907234
4-[[4-[(3,4-dihydroxyphenyl)methyl]piperazin-1-yl]methyl]benzene-1,2-diol
CID 10381970
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 62777259
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol (CID 62776718) is 2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol is CC(C)CN1CCN(Cc2ccc(O)c(N)c2)CC1.
What is the InChIKey of 2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The InChIKey is LWTXLGXYOPYMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)10-17-5-7-18(8-6-17)11-13-3-4-15(19)14(16)9-13/h3-4,9,12,19H,5-8,10-11,16H2,1-2H3.
What are the key properties of 2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 62776718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).