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

C11H22N2O2 — CID 43754265

IUPAC1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid
SMILESCCN1CCC(NC(C)C)(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-4-13-7-5-11(6-8-13,10(14)15)12-9(2)3/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeySVASFWLKDJBKBQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.92
Rot. Bonds4

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

1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid (PubChem CID 43754265) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid
PubChem CID43754265
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid
SMILESCCN1CCC(NC(C)C)(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-4-13-7-5-11(6-8-13,10(14)15)12-9(2)3/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeySVASFWLKDJBKBQ-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(propan-2-ylamino)azepane-4-carboxylic acid
CID 65075898
4-(propan-2-ylamino)-1-propylpiperidine-4-carboxylic acid
CID 43754204
ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 60787165
1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
CID 43753645
1-ethyl-4-(methylamino)azepane-4-carboxylic acid
CID 65075798
4-(cyclopentylamino)-1-ethylpiperidine-4-carboxylic acid
CID 54894276
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
4-(butan-2-ylamino)-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83265484
1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79645140

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid (CID 43754265) is 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid is CCN1CCC(NC(C)C)(C(=O)O)CC1.
What is the InChIKey of 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid?
The InChIKey is SVASFWLKDJBKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13-7-5-11(6-8-13,10(14)15)12-9(2)3/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid?
1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 43754265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).