1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid

C17H25NO2 — CID 95478207

IUPAC1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-4-18-11-9-17(10-12-18,16(19)20)15-7-5-14(6-8-15)13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,20)
InChIKeySAERREQMVHTSKT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.25
Rot. Bonds4

About 1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid

1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid (PubChem CID 95478207) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid
PubChem CID95478207
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-4-18-11-9-17(10-12-18,16(19)20)15-7-5-14(6-8-15)13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,20)
InChIKeySAERREQMVHTSKT-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 95478200
1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013921
1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid
CID 95484471
1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
CID 67764311
1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid
CID 116503324
1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 134218287
1-(2-benzyl-3-methylbutanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168430
azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid
CID 173450342
2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 119349974
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117466052
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid (CID 95478207) is 1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid is CCN1CCC(C(=O)O)(c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid?
The InChIKey is SAERREQMVHTSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-18-11-9-17(10-12-18,16(19)20)15-7-5-14(6-8-15)13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,20).
What are the key properties of 1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid?
1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 95478207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).