N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine

C22H35N3O — CID 4249511

IUPACN-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine
SMILESON=C1CCCCCCCCCCC1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H35N3O/c26-23-21-14-10-5-3-1-2-4-6-11-15-22(21)25-18-16-24(17-19-25)20-12-8-7-9-13-20/h7-9,12-13,22,26H,1-6,10-11,14-19H2
InChIKeyMVXKMSXGZADPPB-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.92
Rot. Bonds2

About N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine

N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine (PubChem CID 4249511) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine
PubChem CID4249511
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine
SMILESON=C1CCCCCCCCCCC1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H35N3O/c26-23-21-14-10-5-3-1-2-4-6-11-15-22(21)25-18-16-24(17-19-25)20-12-8-7-9-13-20/h7-9,12-13,22,26H,1-6,10-11,14-19H2
InChIKeyMVXKMSXGZADPPB-UHFFFAOYSA-N
XLogP4.92
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.92
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'}

Analyze N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine (CID 4249511) is N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine is ON=C1CCCCCCCCCCC1N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine?
The InChIKey is MVXKMSXGZADPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c26-23-21-14-10-5-3-1-2-4-6-11-15-22(21)25-18-16-24(17-19-25)20-12-8-7-9-13-20/h7-9,12-13,22,26H,1-6,10-11,14-19H2.
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine?
N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine has a molecular weight of 357.54 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine is sourced from PubChem (CID 4249511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).