1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid

C19H29NO3 — CID 95404988

IUPAC1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C(C)(C)C)cc1CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C19H29NO3/c1-19(2,3)16-5-6-17(23-4)15(13-16)9-12-20-10-7-14(8-11-20)18(21)22/h5-6,13-14H,7-12H2,1-4H3,(H,21,22)
InChIKeyFHOUURWYHPNCFJ-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.33
Rot. Bonds5

About 1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid

1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid (PubChem CID 95404988) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid
PubChem CID95404988
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C(C)(C)C)cc1CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C19H29NO3/c1-19(2,3)16-5-6-17(23-4)15(13-16)9-12-20-10-7-14(8-11-20)18(21)22/h5-6,13-14H,7-12H2,1-4H3,(H,21,22)
InChIKeyFHOUURWYHPNCFJ-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid
CID 82485246
2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767353
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
CID 82298212
1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727867
1-[(2,5-dichloro-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 122035789
2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82134931
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 43441437
1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid
CID 94778325
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
sodium 2-(5-tert-butyl-2-methoxyphenyl)acetate
CID 18684898
1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid
CID 82255447
N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid (CID 95404988) is 1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid is COc1ccc(C(C)(C)C)cc1CCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is FHOUURWYHPNCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-19(2,3)16-5-6-17(23-4)15(13-16)9-12-20-10-7-14(8-11-20)18(21)22/h5-6,13-14H,7-12H2,1-4H3,(H,21,22).
What are the key properties of 1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid?
1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 319.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 95404988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).