4-(2-methylpropyl)piperidine-4-carboxylic acid

C10H19NO2 — CID 58970539

IUPAC4-(2-methylpropyl)piperidine-4-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CCNCC1
InChIInChI=1S/C10H19NO2/c1-8(2)7-10(9(12)13)3-5-11-6-4-10/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyRJKFXHZAWNRVDC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds3

About 4-(2-methylpropyl)piperidine-4-carboxylic acid

4-(2-methylpropyl)piperidine-4-carboxylic acid (PubChem CID 58970539) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(2-methylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpropyl)piperidine-4-carboxylic acid
PubChem CID58970539
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(2-methylpropyl)piperidine-4-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CCNCC1
InChIInChI=1S/C10H19NO2/c1-8(2)7-10(9(12)13)3-5-11-6-4-10/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyRJKFXHZAWNRVDC-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-methylpropyl)piperidine-4-carboxylic acid (CID 58970539) is 4-(2-methylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-methylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-methylpropyl)piperidine-4-carboxylic acid is CC(C)CC1(C(=O)O)CCNCC1.
What is the InChIKey of 4-(2-methylpropyl)piperidine-4-carboxylic acid?
The InChIKey is RJKFXHZAWNRVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)7-10(9(12)13)3-5-11-6-4-10/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methylpropyl)piperidine-4-carboxylic acid?
4-(2-methylpropyl)piperidine-4-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 58970539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).