4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid

C15H30N2O2 — CID 22279386

IUPAC4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid
SMILESCCCN(C)CCCCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H30N2O2/c1-3-10-16(2)11-6-4-5-7-14-8-12-17(13-9-14)15(18)19/h14H,3-13H2,1-2H3,(H,18,19)
InChIKeyGNCLYYRHTCCMAQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.28
Rot. Bonds8

About 4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid

4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid (PubChem CID 22279386) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid
PubChem CID22279386
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid
SMILESCCCN(C)CCCCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H30N2O2/c1-3-10-16(2)11-6-4-5-7-14-8-12-17(13-9-14)15(18)19/h14H,3-13H2,1-2H3,(H,18,19)
InChIKeyGNCLYYRHTCCMAQ-UHFFFAOYSA-N
XLogP3.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid (CID 22279386) is 4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid is CCCN(C)CCCCCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid?
The InChIKey is GNCLYYRHTCCMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-10-16(2)11-6-4-5-7-14-8-12-17(13-9-14)15(18)19/h14H,3-13H2,1-2H3,(H,18,19).
What are the key properties of 4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid?
4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[methyl(propyl)amino]pentyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22279386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).