(NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine

C33H36N2O3 — CID 87931356

IUPAC(NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine
SMILESO/N=C(/Cc1ccc2ccccc2c1)C1CNCCC1c1ccc(OCCCOCc2ccccc2)cc1
InChIInChI=1S/C33H36N2O3/c36-35-33(22-26-11-12-27-9-4-5-10-29(27)21-26)32-23-34-18-17-31(32)28-13-15-30(16-14-28)38-20-6-19-37-24-25-7-2-1-3-8-25/h1-5,7-16,21,31-32,34,36H,6,17-20,22-24H2/b35-33-
InChIKeyXPMUNEIYHMPFAU-OAPYJULQSA-N
MW508.66 g/mol
LogP6.59
Rot. Bonds11

About (NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine

(NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine (PubChem CID 87931356) has the molecular formula C33H36N2O3 and a molecular weight of 508.66 g/mol. Its IUPAC name is (NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine
PubChem CID87931356
Molecular FormulaC33H36N2O3
Molecular Weight508.66 g/mol
Exact Mass508.27
IUPAC Name(NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine
SMILESO/N=C(/Cc1ccc2ccccc2c1)C1CNCCC1c1ccc(OCCCOCc2ccccc2)cc1
InChIInChI=1S/C33H36N2O3/c36-35-33(22-26-11-12-27-9-4-5-10-29(27)21-26)32-23-34-18-17-31(32)28-13-15-30(16-14-28)38-20-6-19-37-24-25-7-2-1-3-8-25/h1-5,7-16,21,31-32,34,36H,6,17-20,22-24H2/b35-33-
InChIKeyXPMUNEIYHMPFAU-OAPYJULQSA-N
XLogP6.59
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine 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

methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride
CID 159882747
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
3-[(Z)-N-hydroxy-C-(naphthalen-2-ylmethyl)carbonimidoyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid
CID 87931344
4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol
CID 70091294
7-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22126300
4-[4-[3-[(4-iodophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22127509
6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22128155
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
4-[4-[3-[(3-methylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22128752
(2R)-3-[[7-[[(3R,4S)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]methoxy]propane-1,2-diol
CID 10232057
3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol
CID 22127202
4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 22127050

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine (CID 87931356) is (NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine is O/N=C(/Cc1ccc2ccccc2c1)C1CNCCC1c1ccc(OCCCOCc2ccccc2)cc1.
What is the InChIKey of (NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine?
The InChIKey is XPMUNEIYHMPFAU-OAPYJULQSA-N. The full InChI is InChI=1S/C33H36N2O3/c36-35-33(22-26-11-12-27-9-4-5-10-29(27)21-26)32-23-34-18-17-31(32)28-13-15-30(16-14-28)38-20-6-19-37-24-25-7-2-1-3-8-25/h1-5,7-16,21,31-32,34,36H,6,17-20,22-24H2/b35-33-.
What are the key properties of (NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine?
(NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine has a molecular weight of 508.66 g/mol, XLogP of 6.59, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 87931356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).