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

C10H20N2O2 — CID 154017805

IUPAC4-[3-(methylamino)propyl]piperidine-1-carboxylic acid
SMILESCNCCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-11-6-2-3-9-4-7-12(8-5-9)10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyHIKOXCLMLRVWFE-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.38
Rot. Bonds4

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

4-[3-(methylamino)propyl]piperidine-1-carboxylic acid (PubChem CID 154017805) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[3-(methylamino)propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(methylamino)propyl]piperidine-1-carboxylic acid
PubChem CID154017805
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-[3-(methylamino)propyl]piperidine-1-carboxylic acid
SMILESCNCCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-11-6-2-3-9-4-7-12(8-5-9)10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyHIKOXCLMLRVWFE-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[3-(methylamino)propyl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
4-[3-(methylamino)propyl]piperidine-1-carbaldehyde
CID 166684107
4-(3-acetylsulfanylpropyl)piperidine-1-carboxylic acid
CID 154017798
1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 58975937
[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161245
4-[3-[(4-methylsulfinylphenyl)methylamino]propyl]piperidine-1-carboxylic acid
CID 68711509
N-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 83817392
4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017812
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
N-(3-cyclopropylpropyl)-4-(methylamino)butanamide
CID 115740529
4-(2-acetylsulfanylethyl)piperidine-1-carboxylic acid
CID 87917137
4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid
CID 90460311

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(methylamino)propyl]piperidine-1-carboxylic acid (CID 154017805) is 4-[3-(methylamino)propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(methylamino)propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(methylamino)propyl]piperidine-1-carboxylic acid is CNCCCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[3-(methylamino)propyl]piperidine-1-carboxylic acid?
The InChIKey is HIKOXCLMLRVWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11-6-2-3-9-4-7-12(8-5-9)10(13)14/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-[3-(methylamino)propyl]piperidine-1-carboxylic acid?
4-[3-(methylamino)propyl]piperidine-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 154017805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).