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

C35H41NO4 — CID 22127952

IUPAC3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine
SMILESCCCOc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C35H41NO4/c1-2-20-39-34-11-6-5-10-31(34)26-37-21-7-22-38-32-16-14-29(15-17-32)33-18-19-36-24-35(33)40-25-27-12-13-28-8-3-4-9-30(28)23-27/h3-6,8-17,23,33,35-36H,2,7,18-22,24-26H2,1H3
InChIKeyGTZFBRZSWDPNRU-UHFFFAOYSA-N
MW539.72 g/mol
LogP7.28
Rot. Bonds14

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

3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine (PubChem CID 22127952) has the molecular formula C35H41NO4 and a molecular weight of 539.72 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine
PubChem CID22127952
Molecular FormulaC35H41NO4
Molecular Weight539.72 g/mol
Exact Mass539.30
IUPAC Name3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine
SMILESCCCOc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C35H41NO4/c1-2-20-39-34-11-6-5-10-31(34)26-37-21-7-22-38-32-16-14-29(15-17-32)33-18-19-36-24-35(33)40-25-27-12-13-28-8-3-4-9-30(28)23-27/h3-6,8-17,23,33,35-36H,2,7,18-22,24-26H2,1H3
InChIKeyGTZFBRZSWDPNRU-UHFFFAOYSA-N
XLogP7.28
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
4-[4-[3-[(4-iodophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22127509
4-[4-[3-[(2,4-dimethylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22126538
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
2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
CID 70126616
3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 68504096
3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine
CID 22128513
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3,5-bis(naphthalen-2-ylmethoxy)piperidine
CID 22127629

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine?
The IUPAC name of 3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine (CID 22127952) is 3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine.
What is the SMILES notation for 3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine?
The canonical SMILES for 3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine is CCCOc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine?
The InChIKey is GTZFBRZSWDPNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41NO4/c1-2-20-39-34-11-6-5-10-31(34)26-37-21-7-22-38-32-16-14-29(15-17-32)33-18-19-36-24-35(33)40-25-27-12-13-28-8-3-4-9-30(28)23-27/h3-6,8-17,23,33,35-36H,2,7,18-22,24-26H2,1H3.
What are the key properties of 3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine?
3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine has a molecular weight of 539.72 g/mol, XLogP of 7.28, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine is sourced from PubChem (CID 22127952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).