1-[tris(2-methoxyphenyl)methyl]piperidine

C27H31NO3 — CID 67427832

IUPAC1-[tris(2-methoxyphenyl)methyl]piperidine
SMILESCOc1ccccc1C(c1ccccc1OC)(c1ccccc1OC)N1CCCCC1
InChIInChI=1S/C27H31NO3/c1-29-24-16-8-5-13-21(24)27(28-19-11-4-12-20-28,22-14-6-9-17-25(22)30-2)23-15-7-10-18-26(23)31-3/h5-10,13-18H,4,11-12,19-20H2,1-3H3
InChIKeyUWSLQENZROEHFM-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.49
Rot. Bonds7

About 1-[tris(2-methoxyphenyl)methyl]piperidine

1-[tris(2-methoxyphenyl)methyl]piperidine (PubChem CID 67427832) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 1-[tris(2-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[tris(2-methoxyphenyl)methyl]piperidine
PubChem CID67427832
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name1-[tris(2-methoxyphenyl)methyl]piperidine
SMILESCOc1ccccc1C(c1ccccc1OC)(c1ccccc1OC)N1CCCCC1
InChIInChI=1S/C27H31NO3/c1-29-24-16-8-5-13-21(24)27(28-19-11-4-12-20-28,22-14-6-9-17-25(22)30-2)23-15-7-10-18-26(23)31-3/h5-10,13-18H,4,11-12,19-20H2,1-3H3
InChIKeyUWSLQENZROEHFM-UHFFFAOYSA-N
XLogP5.49
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methoxyphenyl)-diphenylmethyl]pyrrolidine
CID 67427806
3-(azepan-1-yl)-3-(2-methoxyphenyl)butanoic acid
CID 64527131
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79055855
1-cycloheptyl-1-(2-methoxyphenyl)ethanamine
CID 82932355
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360
1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene
CID 21464766
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242

Frequently Asked Questions

What is the IUPAC name of 1-[tris(2-methoxyphenyl)methyl]piperidine?
The IUPAC name of 1-[tris(2-methoxyphenyl)methyl]piperidine (CID 67427832) is 1-[tris(2-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 1-[tris(2-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 1-[tris(2-methoxyphenyl)methyl]piperidine is COc1ccccc1C(c1ccccc1OC)(c1ccccc1OC)N1CCCCC1.
What is the InChIKey of 1-[tris(2-methoxyphenyl)methyl]piperidine?
The InChIKey is UWSLQENZROEHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-29-24-16-8-5-13-21(24)27(28-19-11-4-12-20-28,22-14-6-9-17-25(22)30-2)23-15-7-10-18-26(23)31-3/h5-10,13-18H,4,11-12,19-20H2,1-3H3.
What are the key properties of 1-[tris(2-methoxyphenyl)methyl]piperidine?
1-[tris(2-methoxyphenyl)methyl]piperidine has a molecular weight of 417.55 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tris(2-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 67427832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).