1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol

C22H32N4O2 — CID 20760339

IUPAC1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol
SMILESNc1cccc(OCC(O)CNCC2CCN(Cc3ccccc3)CC2)c1N
InChIInChI=1S/C22H32N4O2/c23-20-7-4-8-21(22(20)24)28-16-19(27)14-25-13-17-9-11-26(12-10-17)15-18-5-2-1-3-6-18/h1-8,17,19,25,27H,9-16,23-24H2
InChIKeyAXJYLVAPDRSVLU-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.09
Rot. Bonds9

About 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol

1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol (PubChem CID 20760339) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol
PubChem CID20760339
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol
SMILESNc1cccc(OCC(O)CNCC2CCN(Cc3ccccc3)CC2)c1N
InChIInChI=1S/C22H32N4O2/c23-20-7-4-8-21(22(20)24)28-16-19(27)14-25-13-17-9-11-26(12-10-17)15-18-5-2-1-3-6-18/h1-8,17,19,25,27H,9-16,23-24H2
InChIKeyAXJYLVAPDRSVLU-UHFFFAOYSA-N
XLogP2.09
TPSA96.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol 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-(2-amino-3-nitrophenoxy)-3-[(1-benzylpiperidin-4-yl)methylamino]propan-2-ol
CID 20760340
1-(2,3-diaminophenoxy)-3-(2-phenoxyethylamino)propan-2-ol
CID 150763746
1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4969396
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62199243
1-(cyclopropylmethylamino)-3-phenylpropan-2-ol
CID 111104724
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 18807405
4-[(2R)-3-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
CID 70001707
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride
CID 14518101
2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
CID 47920766

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol (CID 20760339) is 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol is Nc1cccc(OCC(O)CNCC2CCN(Cc3ccccc3)CC2)c1N.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol?
The InChIKey is AXJYLVAPDRSVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c23-20-7-4-8-21(22(20)24)28-16-19(27)14-25-13-17-9-11-26(12-10-17)15-18-5-2-1-3-6-18/h1-8,17,19,25,27H,9-16,23-24H2.
What are the key properties of 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol?
1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol has a molecular weight of 384.52 g/mol, XLogP of 2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-4-yl)methylamino]-3-(2,3-diaminophenoxy)propan-2-ol is sourced from PubChem (CID 20760339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).