4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine

C30H32N2O3 — CID 22128809

IUPAC4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine
SMILESc1ccc2cc(COC3CNCCC3c3ccc(OCCOCc4ccncc4)cc3)ccc2c1
InChIInChI=1S/C30H32N2O3/c1-2-4-27-19-24(5-6-25(27)3-1)22-35-30-20-32-16-13-29(30)26-7-9-28(10-8-26)34-18-17-33-21-23-11-14-31-15-12-23/h1-12,14-15,19,29-30,32H,13,16-18,20-22H2
InChIKeyJVEJMPOSEJLQMF-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.49
Rot. Bonds10

About 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine

4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine (PubChem CID 22128809) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine.

Molecular Properties

Compound Name4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine
PubChem CID22128809
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine
SMILESc1ccc2cc(COC3CNCCC3c3ccc(OCCOCc4ccncc4)cc3)ccc2c1
InChIInChI=1S/C30H32N2O3/c1-2-4-27-19-24(5-6-25(27)3-1)22-35-30-20-32-16-13-29(30)26-7-9-28(10-8-26)34-18-17-33-21-23-11-14-31-15-12-23/h1-12,14-15,19,29-30,32H,13,16-18,20-22H2
InChIKeyJVEJMPOSEJLQMF-UHFFFAOYSA-N
XLogP5.49
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine with MolForge

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Related Compounds

(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
(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-(piperidin-4-ylmethoxy)ethoxy]phenyl]piperidine
CID 139787520
4-[4-[3-[(3-methylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22128752
7-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22126300
4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 140989345
6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22128155
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine
CID 22128244
4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 22127050
4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22126538
4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 142663964

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine?
The IUPAC name of 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine (CID 22128809) is 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine.
What is the SMILES notation for 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine?
The canonical SMILES for 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine is c1ccc2cc(COC3CNCCC3c3ccc(OCCOCc4ccncc4)cc3)ccc2c1.
What is the InChIKey of 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine?
The InChIKey is JVEJMPOSEJLQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-2-4-27-19-24(5-6-25(27)3-1)22-35-30-20-32-16-13-29(30)26-7-9-28(10-8-26)34-18-17-33-21-23-11-14-31-15-12-23/h1-12,14-15,19,29-30,32H,13,16-18,20-22H2.
What are the key properties of 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine?
4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine has a molecular weight of 468.60 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine is sourced from PubChem (CID 22128809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).