4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid

C18H28N2O4 — CID 175102651

IUPAC4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid
SMILESCOCCOc1ccc(CC(C)(C)N2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C18H28N2O4/c1-18(2,20-10-8-19(9-11-20)17(21)22)14-15-4-6-16(7-5-15)24-13-12-23-3/h4-7H,8-14H2,1-3H3,(H,21,22)
InChIKeyOTOASNLHTAWCRH-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.33
Rot. Bonds7

About 4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid

4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid (PubChem CID 175102651) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid
PubChem CID175102651
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid
SMILESCOCCOc1ccc(CC(C)(C)N2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C18H28N2O4/c1-18(2,20-10-8-19(9-11-20)17(21)22)14-15-4-6-16(7-5-15)24-13-12-23-3/h4-7H,8-14H2,1-3H3,(H,21,22)
InChIKeyOTOASNLHTAWCRH-UHFFFAOYSA-N
XLogP2.33
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-[4-(2-methoxyethoxy)phenyl]-3-methylpiperazine-1-carboxylic acid
CID 166759000
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793764
(2R)-2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 70114787
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63317279
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid
CID 102343472
1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine
CID 161445896
4-(4-tert-butylphenoxy)-1-[4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108546973
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid (CID 175102651) is 4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid is COCCOc1ccc(CC(C)(C)N2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid?
The InChIKey is OTOASNLHTAWCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2,20-10-8-19(9-11-20)17(21)22)14-15-4-6-16(7-5-15)24-13-12-23-3/h4-7H,8-14H2,1-3H3,(H,21,22).
What are the key properties of 4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid?
4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid has a molecular weight of 336.43 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 175102651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).