(NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine

C28H38N2O — CID 22801238

IUPAC(NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine
SMILESCC(CN1CCCCC1CC1CCCCC1)c1cccc(/C(=N\O)c2ccccc2)c1
InChIInChI=1S/C28H38N2O/c1-22(21-30-18-9-8-17-27(30)19-23-11-4-2-5-12-23)25-15-10-16-26(20-25)28(29-31)24-13-6-3-7-14-24/h3,6-7,10,13-16,20,22-23,27,31H,2,4-5,8-9,11-12,17-19,21H2,1H3/b29-28-
InChIKeyZHHSWJYJBLWAAT-ZIADKAODSA-N
MW418.63 g/mol
LogP6.84
Rot. Bonds7

About (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine

(NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine (PubChem CID 22801238) has the molecular formula C28H38N2O and a molecular weight of 418.63 g/mol. Its IUPAC name is (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine
PubChem CID22801238
Molecular FormulaC28H38N2O
Molecular Weight418.63 g/mol
Exact Mass418.30
IUPAC Name(NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine
SMILESCC(CN1CCCCC1CC1CCCCC1)c1cccc(/C(=N\O)c2ccccc2)c1
InChIInChI=1S/C28H38N2O/c1-22(21-30-18-9-8-17-27(30)19-23-11-4-2-5-12-23)25-15-10-16-26(20-25)28(29-31)24-13-6-3-7-14-24/h3,6-7,10,13-16,20,22-23,27,31H,2,4-5,8-9,11-12,17-19,21H2,1H3/b29-28-
InChIKeyZHHSWJYJBLWAAT-ZIADKAODSA-N
XLogP6.84
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]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 (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine (CID 22801238) is (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine is CC(CN1CCCCC1CC1CCCCC1)c1cccc(/C(=N\O)c2ccccc2)c1.
What is the InChIKey of (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine?
The InChIKey is ZHHSWJYJBLWAAT-ZIADKAODSA-N. The full InChI is InChI=1S/C28H38N2O/c1-22(21-30-18-9-8-17-27(30)19-23-11-4-2-5-12-23)25-15-10-16-26(20-25)28(29-31)24-13-6-3-7-14-24/h3,6-7,10,13-16,20,22-23,27,31H,2,4-5,8-9,11-12,17-19,21H2,1H3/b29-28-.
What are the key properties of (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine?
(NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine has a molecular weight of 418.63 g/mol, XLogP of 6.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 22801238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).