N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C24H29N3O — CID 5222982

IUPACN-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESON=C1C2CCC(C2)C1N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H29N3O/c28-25-22-20-11-12-21(17-20)24(22)27-15-13-26(14-16-27)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-21,23-24,28H,11-17H2
InChIKeyBADDKPRGLWEUCH-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.02
Rot. Bonds4

About N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 5222982) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID5222982
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESON=C1C2CCC(C2)C1N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H29N3O/c28-25-22-20-11-12-21(17-20)24(22)27-15-13-26(14-16-27)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-21,23-24,28H,11-17H2
InChIKeyBADDKPRGLWEUCH-UHFFFAOYSA-N
XLogP4.02
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 5222982) is N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is ON=C1C2CCC(C2)C1N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is BADDKPRGLWEUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c28-25-22-20-11-12-21(17-20)24(22)27-15-13-26(14-16-27)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-21,23-24,28H,11-17H2.
What are the key properties of N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 375.52 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzhydrylpiperazin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 5222982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).