1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol

C20H27N3O2 — CID 13273134

IUPAC1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol
SMILESNOCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c21-25-16-19(24)15-22-11-13-23(14-12-22)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16,21H2
InChIKeyVDNQQBUANQXZBK-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.64
Rot. Bonds7

About 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol

1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol (PubChem CID 13273134) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol
PubChem CID13273134
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol
SMILESNOCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c21-25-16-19(24)15-22-11-13-23(14-12-22)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16,21H2
InChIKeyVDNQQBUANQXZBK-UHFFFAOYSA-N
XLogP1.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)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-(1-Phenylcyclohexyl)-4-hydroxypiperidine
CID 98840
1-(Diphenylmethyl)azetidin-3-ol
CID 330448
(3R,4R)-1-[(4-fluorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 449639
Aminobenzovesamicol
CID 10390222
Decloxizine
CID 71135
Cyclizine Lactate
CID 71473
trans-1-(4-Fluorobenzyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 9999116
(3R,4R)-1-[(4-iodophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 10096519
(3R,4R)-1-[(2-iodophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 44320744
[(2R)-1,4-dibenzylpiperazin-2-yl]methanol
CID 9994741
Hydroxydiethylphenamine
CID 83104
4-(Diphenylmethyl)-1-piperazineethanol
CID 4742573

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol (CID 13273134) is 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol is NOCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol?
The InChIKey is VDNQQBUANQXZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c21-25-16-19(24)15-22-11-13-23(14-12-22)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16,21H2.
What are the key properties of 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol?
1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol has a molecular weight of 341.46 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 13273134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).