4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine

C33H43NO3 — CID 14407109

IUPAC4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine
SMILESCOc1ccc(C(c2ccc(OC)cc2)C2CCN(CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C33H43NO3/c1-33(2,3)28-11-17-31(18-12-28)37-24-6-21-34-22-19-27(20-23-34)32(25-7-13-29(35-4)14-8-25)26-9-15-30(36-5)16-10-26/h7-18,27,32H,6,19-24H2,1-5H3
InChIKeyNECUCOPLSRJZLJ-UHFFFAOYSA-N
MW501.71 g/mol
LogP7.31
Rot. Bonds10

About 4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine

4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine (PubChem CID 14407109) has the molecular formula C33H43NO3 and a molecular weight of 501.71 g/mol. Its IUPAC name is 4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine
PubChem CID14407109
Molecular FormulaC33H43NO3
Molecular Weight501.71 g/mol
Exact Mass501.32
IUPAC Name4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine
SMILESCOc1ccc(C(c2ccc(OC)cc2)C2CCN(CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C33H43NO3/c1-33(2,3)28-11-17-31(18-12-28)37-24-6-21-34-22-19-27(20-23-34)32(25-7-13-29(35-4)14-8-25)26-9-15-30(36-5)16-10-26/h7-18,27,32H,6,19-24H2,1-5H3
InChIKeyNECUCOPLSRJZLJ-UHFFFAOYSA-N
XLogP7.31
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.71
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine
CID 56542513
1-[4-[3-[4-[bis(4-methoxyphenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 14407126
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]ethanone
CID 14407097
1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide
CID 9443262
N-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide
CID 14407113
4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine
CID 14407082
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-2-methoxyphenyl]ethanone
CID 15093874
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]aniline;but-2-enedioic acid;hydrate
CID 70392622
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine?
The IUPAC name of 4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine (CID 14407109) is 4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine.
What is the SMILES notation for 4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine?
The canonical SMILES for 4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine is COc1ccc(C(c2ccc(OC)cc2)C2CCN(CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine?
The InChIKey is NECUCOPLSRJZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43NO3/c1-33(2,3)28-11-17-31(18-12-28)37-24-6-21-34-22-19-27(20-23-34)32(25-7-13-29(35-4)14-8-25)26-9-15-30(36-5)16-10-26/h7-18,27,32H,6,19-24H2,1-5H3.
What are the key properties of 4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine?
4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine has a molecular weight of 501.71 g/mol, XLogP of 7.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine is sourced from PubChem (CID 14407109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).