1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid

C28H31NO4 — CID 10252950

IUPAC1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(OCCN2CCCC(C(=O)O)C2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H31NO4/c1-32-26-16-14-25(15-17-26)28(23-10-4-2-5-11-23,24-12-6-3-7-13-24)33-20-19-29-18-8-9-22(21-29)27(30)31/h2-7,10-17,22H,8-9,18-21H2,1H3,(H,30,31)
InChIKeyULTKVXVEPZOEGM-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.80
Rot. Bonds9

About 1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid

1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid (PubChem CID 10252950) has the molecular formula C28H31NO4 and a molecular weight of 445.56 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid
PubChem CID10252950
Molecular FormulaC28H31NO4
Molecular Weight445.56 g/mol
Exact Mass445.23
IUPAC Name1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(OCCN2CCCC(C(=O)O)C2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H31NO4/c1-32-26-16-14-25(15-17-26)28(23-10-4-2-5-11-23,24-12-6-3-7-13-24)33-20-19-29-18-8-9-22(21-29)27(30)31/h2-7,10-17,22H,8-9,18-21H2,1H3,(H,30,31)
InChIKeyULTKVXVEPZOEGM-UHFFFAOYSA-N
XLogP4.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate
CID 10553968
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[2-[(E)-(4-methoxyphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 155543637
2-[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]ethoxy-hydroxy-oxophosphanium
CID 11800590
1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073354
1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid
CID 174416166
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid
CID 10620277
(E)-but-2-enedioic acid;(3R)-1-[2-[3-(3-methoxyphenyl)-3-phenylpropoxy]ethyl]piperidine-3-carboxylic acid
CID 70229977
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid (CID 10252950) is 1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid is COc1ccc(C(OCCN2CCCC(C(=O)O)C2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid?
The InChIKey is ULTKVXVEPZOEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO4/c1-32-26-16-14-25(15-17-26)28(23-10-4-2-5-11-23,24-12-6-3-7-13-24)33-20-19-29-18-8-9-22(21-29)27(30)31/h2-7,10-17,22H,8-9,18-21H2,1H3,(H,30,31).
What are the key properties of 1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid?
1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid has a molecular weight of 445.56 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 10252950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).