4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine

C34H39NO3 — CID 22126538

IUPAC4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
SMILESCc1ccc(COCCCOc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)c(C)c1
InChIInChI=1S/C34H39NO3/c1-25-8-10-31(26(2)20-25)24-36-18-5-19-37-32-14-12-29(13-15-32)33-16-17-35-22-34(33)38-23-27-9-11-28-6-3-4-7-30(28)21-27/h3-4,6-15,20-21,33-35H,5,16-19,22-24H2,1-2H3
InChIKeyQZCZFPBHXQJCCD-UHFFFAOYSA-N
MW509.69 g/mol
LogP7.10
Rot. Bonds11

About 4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine

4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine (PubChem CID 22126538) has the molecular formula C34H39NO3 and a molecular weight of 509.69 g/mol. Its IUPAC name is 4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine.

Molecular Properties

Compound Name4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
PubChem CID22126538
Molecular FormulaC34H39NO3
Molecular Weight509.69 g/mol
Exact Mass509.29
IUPAC Name4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
SMILESCc1ccc(COCCCOc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)c(C)c1
InChIInChI=1S/C34H39NO3/c1-25-8-10-31(26(2)20-25)24-36-18-5-19-37-32-14-12-29(13-15-32)33-16-17-35-22-34(33)38-23-27-9-11-28-6-3-4-7-30(28)21-27/h3-4,6-15,20-21,33-35H,5,16-19,22-24H2,1-2H3
InChIKeyQZCZFPBHXQJCCD-UHFFFAOYSA-N
XLogP7.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 140989345
4-[4-[3-[(3-methylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22128752
(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
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
3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 22127952
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
7-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22126300
6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22128155
4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine
CID 22128809
3-(naphthalen-2-ylmethoxy)-4-[4-[2-(piperidin-4-ylmethoxy)ethoxy]phenyl]piperidine
CID 139787520

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
The IUPAC name of 4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine (CID 22126538) is 4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine.
What is the SMILES notation for 4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
The canonical SMILES for 4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine is Cc1ccc(COCCCOc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)c(C)c1.
What is the InChIKey of 4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
The InChIKey is QZCZFPBHXQJCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39NO3/c1-25-8-10-31(26(2)20-25)24-36-18-5-19-37-32-14-12-29(13-15-32)33-16-17-35-22-34(33)38-23-27-9-11-28-6-3-4-7-30(28)21-27/h3-4,6-15,20-21,33-35H,5,16-19,22-24H2,1-2H3.
What are the key properties of 4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine has a molecular weight of 509.69 g/mol, XLogP of 7.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine is sourced from PubChem (CID 22126538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).