1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C14H26N2O2 — CID 61020449

IUPAC1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H26N2O2/c1-11(2)10-15-8-5-12(6-9-15)16-7-3-4-13(16)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeySHMJABBHZXHCIA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.66
Rot. Bonds4

About 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 61020449) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID61020449
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H26N2O2/c1-11(2)10-15-8-5-12(6-9-15)16-7-3-4-13(16)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeySHMJABBHZXHCIA-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 61020449) is 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is CC(C)CN1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is SHMJABBHZXHCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)10-15-8-5-12(6-9-15)16-7-3-4-13(16)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61020449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).