4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid

C13H26N2O2 — CID 22279431

IUPAC4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid
SMILESCCCN(C)CCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-3-8-14(2)9-4-5-12-6-10-15(11-7-12)13(16)17/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyDEILQRGODKLDHY-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.50
Rot. Bonds6

About 4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid

4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid (PubChem CID 22279431) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid
PubChem CID22279431
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid
SMILESCCCN(C)CCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-3-8-14(2)9-4-5-12-6-10-15(11-7-12)13(16)17/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyDEILQRGODKLDHY-UHFFFAOYSA-N
XLogP2.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid (CID 22279431) is 4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid is CCCN(C)CCCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid?
The InChIKey is DEILQRGODKLDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-8-14(2)9-4-5-12-6-10-15(11-7-12)13(16)17/h12H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid?
4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl(propyl)amino]propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22279431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).