3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine

C34H39NO5 — CID 22127679

IUPAC3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
SMILESCOc1cc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3)cc2)c(OC)c2ccccc12
InChIInChI=1S/C34H39NO5/c1-36-32-21-27(34(37-2)31-12-7-6-11-30(31)32)24-40-33-22-35-18-17-29(33)26-13-15-28(16-14-26)39-20-8-19-38-23-25-9-4-3-5-10-25/h3-7,9-16,21,29,33,35H,8,17-20,22-24H2,1-2H3
InChIKeyKWLIAZIUEDSAOF-UHFFFAOYSA-N
MW541.69 g/mol
LogP6.51
Rot. Bonds13

About 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine

3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine (PubChem CID 22127679) has the molecular formula C34H39NO5 and a molecular weight of 541.69 g/mol. Its IUPAC name is 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine.

Molecular Properties

Compound Name3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
PubChem CID22127679
Molecular FormulaC34H39NO5
Molecular Weight541.69 g/mol
Exact Mass541.28
IUPAC Name3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
SMILESCOc1cc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3)cc2)c(OC)c2ccccc12
InChIInChI=1S/C34H39NO5/c1-36-32-21-27(34(37-2)31-12-7-6-11-30(31)32)24-40-33-22-35-18-17-29(33)26-13-15-28(16-14-26)39-20-8-19-38-23-25-9-4-3-5-10-25/h3-7,9-16,21,29,33,35H,8,17-20,22-24H2,1-2H3
InChIKeyKWLIAZIUEDSAOF-UHFFFAOYSA-N
XLogP6.51
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.69
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 10483146
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[(E)-4-phenylbut-3-enoxy]phenyl]piperidine
CID 22126696
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
3-[(2-bromo-5-fluorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine;hydrochloride
CID 22128778
dichloromethane;3-[(2,5-dimethylphenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine;hydrobromide
CID 159869403
4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 142663964
3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol
CID 22127202
5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 22127067
3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 68505630
5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 22128538
7-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22126300
4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 18793416

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine?
The IUPAC name of 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine (CID 22127679) is 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine.
What is the SMILES notation for 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine?
The canonical SMILES for 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine is COc1cc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3)cc2)c(OC)c2ccccc12.
What is the InChIKey of 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine?
The InChIKey is KWLIAZIUEDSAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39NO5/c1-36-32-21-27(34(37-2)31-12-7-6-11-30(31)32)24-40-33-22-35-18-17-29(33)26-13-15-28(16-14-26)39-20-8-19-38-23-25-9-4-3-5-10-25/h3-7,9-16,21,29,33,35H,8,17-20,22-24H2,1-2H3.
What are the key properties of 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine?
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine has a molecular weight of 541.69 g/mol, XLogP of 6.51, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine is sourced from PubChem (CID 22127679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).