4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine

C32H35NO3 — CID 140989345

IUPAC4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
SMILESCc1ccc(OCCCOc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C32H35NO3/c1-24-7-13-29(14-8-24)34-19-4-20-35-30-15-11-27(12-16-30)31-17-18-33-22-32(31)36-23-25-9-10-26-5-2-3-6-28(26)21-25/h2-3,5-16,21,31-33H,4,17-20,22-23H2,1H3
InChIKeyQBSRRQFPBMBYCT-UHFFFAOYSA-N
MW481.64 g/mol
LogP6.66
Rot. Bonds10

About 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine

4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine (PubChem CID 140989345) has the molecular formula C32H35NO3 and a molecular weight of 481.64 g/mol. Its IUPAC name is 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine.

Molecular Properties

Compound Name4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
PubChem CID140989345
Molecular FormulaC32H35NO3
Molecular Weight481.64 g/mol
Exact Mass481.26
IUPAC Name4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
SMILESCc1ccc(OCCCOc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C32H35NO3/c1-24-7-13-29(14-8-24)34-19-4-20-35-30-15-11-27(12-16-30)31-17-18-33-22-32(31)36-23-25-9-10-26-5-2-3-6-28(26)21-25/h2-3,5-16,21,31-33H,4,17-20,22-23H2,1H3
InChIKeyQBSRRQFPBMBYCT-UHFFFAOYSA-N
XLogP6.66
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine 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

4-[4-[3-[(3-methylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22128752
4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22126538
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
4-[4-[3-[(4-iodophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22127509
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine
CID 22128244
4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 142663964
4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 22127050
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 22127952
3-(naphthalen-2-ylmethoxy)-4-[4-[2-(piperidin-4-ylmethoxy)ethoxy]phenyl]piperidine
CID 139787520
7-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22126300
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
The IUPAC name of 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine (CID 140989345) is 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine.
What is the SMILES notation for 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
The canonical SMILES for 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine is Cc1ccc(OCCCOc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
The InChIKey is QBSRRQFPBMBYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO3/c1-24-7-13-29(14-8-24)34-19-4-20-35-30-15-11-27(12-16-30)31-17-18-33-22-32(31)36-23-25-9-10-26-5-2-3-6-28(26)21-25/h2-3,5-16,21,31-33H,4,17-20,22-23H2,1H3.
What are the key properties of 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine has a molecular weight of 481.64 g/mol, XLogP of 6.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine is sourced from PubChem (CID 140989345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).