1-cyclopropyl-2-methylpiperidine-4-carboxylic acid

C10H17NO2 — CID 106745409

IUPAC1-cyclopropyl-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C1CC1
InChIInChI=1S/C10H17NO2/c1-7-6-8(10(12)13)4-5-11(7)9-2-3-9/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyWIQKQBNMLBGOBP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.33
Rot. Bonds2

About 1-cyclopropyl-2-methylpiperidine-4-carboxylic acid

1-cyclopropyl-2-methylpiperidine-4-carboxylic acid (PubChem CID 106745409) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2-methylpiperidine-4-carboxylic acid
PubChem CID106745409
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-cyclopropyl-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C1CC1
InChIInChI=1S/C10H17NO2/c1-7-6-8(10(12)13)4-5-11(7)9-2-3-9/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyWIQKQBNMLBGOBP-UHFFFAOYSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2-methylpiperidine-4-carboxylic acid (CID 106745409) is 1-cyclopropyl-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylpiperidine-4-carboxylic acid?
The InChIKey is WIQKQBNMLBGOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-6-8(10(12)13)4-5-11(7)9-2-3-9/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-cyclopropyl-2-methylpiperidine-4-carboxylic acid?
1-cyclopropyl-2-methylpiperidine-4-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106745409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).