2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid

C19H29NO3 — CID 57371523

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid
SMILESCc1ccc(C(C)C)c(OC(CCN2CCCCC2)C(=O)O)c1
InChIInChI=1S/C19H29NO3/c1-14(2)16-8-7-15(3)13-18(16)23-17(19(21)22)9-12-20-10-5-4-6-11-20/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,21,22)
InChIKeyTXVGCHDDLLQIBO-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.83
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid

2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid (PubChem CID 57371523) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid
PubChem CID57371523
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid
SMILESCc1ccc(C(C)C)c(OC(CCN2CCCCC2)C(=O)O)c1
InChIInChI=1S/C19H29NO3/c1-14(2)16-8-7-15(3)13-18(16)23-17(19(21)22)9-12-20-10-5-4-6-11-20/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,21,22)
InChIKeyTXVGCHDDLLQIBO-UHFFFAOYSA-N
XLogP3.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,5-Dimethylphenoxy)butyl]piperidine oxalate
CID 2848306
1-[3-(2-Isopropylphenoxy)propyl]pyrrolidine oxalate
CID 2865694
o-Tolyloxy-acetic acid 1-methyl-piperidin-4-yl ester
CID 2947870
1-[4-(4-Tert-butylphenoxy)butyl]-4-methylpiperidine;oxalic acid
CID 24792257
1-[4-(4-Isopropylphenoxy)butyl]piperidine
CID 24792262
1-[3-(2,5-Dimethylphenoxy)propyl]pyrrolidine oxalate
CID 2846771
1-(2,6-Dimethylmorpholino)-3-(2-isopropyl-5-methylphenoxy)propan-2-ol hydrochloride
CID 2850579
1-[4-[4-(2-Methylbutan-2-yl)phenoxy]butyl]piperidine;oxalic acid
CID 2922263
1-[4-(2-Biphenylyloxy)butyl]piperidine oxalate
CID 2922794
1-[3-(2-Biphenylyloxy)propyl]piperidine oxalate
CID 2924141
2,6-Dimethyl-4-{2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl}morpholine oxalate
CID 2934356
2,6-Dimethyl-4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine oxalate
CID 2934445

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid (CID 57371523) is 2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid is Cc1ccc(C(C)C)c(OC(CCN2CCCCC2)C(=O)O)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid?
The InChIKey is TXVGCHDDLLQIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)16-8-7-15(3)13-18(16)23-17(19(21)22)9-12-20-10-5-4-6-11-20/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,21,22).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid?
2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid has a molecular weight of 319.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 57371523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).