4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride

C33H38ClNO4 — CID 142663964

IUPAC4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
SMILESCOc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.Cl
InChIInChI=1S/C33H37NO4.ClH/c1-35-32-10-5-4-9-29(32)24-36-19-6-20-37-30-15-13-27(14-16-30)31-17-18-34-22-33(31)38-23-25-11-12-26-7-2-3-8-28(26)21-25;/h2-5,7-16,21,31,33-34H,6,17-20,22-24H2,1H3;1H
InChIKeyKXIRQAMKSDQUQO-UHFFFAOYSA-N
MW548.12 g/mol
LogP6.92
Rot. Bonds12

About 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride

4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride (PubChem CID 142663964) has the molecular formula C33H38ClNO4 and a molecular weight of 548.12 g/mol. Its IUPAC name is 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
PubChem CID142663964
Molecular FormulaC33H38ClNO4
Molecular Weight548.12 g/mol
Exact Mass547.25
IUPAC Name4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
SMILESCOc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.Cl
InChIInChI=1S/C33H37NO4.ClH/c1-35-32-10-5-4-9-29(32)24-36-19-6-20-37-30-15-13-27(14-16-30)31-17-18-34-22-33(31)38-23-25-11-12-26-7-2-3-8-28(26)21-25;/h2-5,7-16,21,31,33-34H,6,17-20,22-24H2,1H3;1H
InChIKeyKXIRQAMKSDQUQO-UHFFFAOYSA-N
XLogP6.92
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.12
LogP ≤ 56.92
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

3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 22127952
3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine
CID 22128513
2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
CID 70126616
4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 22127050
4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3,5-bis(naphthalen-2-ylmethoxy)piperidine
CID 22127629
3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 68504096
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
3-[2-[7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]-1-methylpiperazine
CID 142639846
(3R,4R)-3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 10483146
methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen
CID 145126257
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?
The IUPAC name of 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride (CID 142663964) is 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?
The canonical SMILES for 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride is COc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.Cl.
What is the InChIKey of 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?
The InChIKey is KXIRQAMKSDQUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37NO4.ClH/c1-35-32-10-5-4-9-29(32)24-36-19-6-20-37-30-15-13-27(14-16-30)31-17-18-34-22-33(31)38-23-25-11-12-26-7-2-3-8-28(26)21-25;/h2-5,7-16,21,31,33-34H,6,17-20,22-24H2,1H3;1H.
What are the key properties of 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?
4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride has a molecular weight of 548.12 g/mol, XLogP of 6.92, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride is sourced from PubChem (CID 142663964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).