3-(ethylaminomethyl)piperidine-1-carboxylic acid

C9H18N2O2 — CID 146302928

IUPAC3-(ethylaminomethyl)piperidine-1-carboxylic acid
SMILESCCNCC1CCCN(C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-2-10-6-8-4-3-5-11(7-8)9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyRRFIAFYEXKBTGU-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.99
Rot. Bonds3

About 3-(ethylaminomethyl)piperidine-1-carboxylic acid

3-(ethylaminomethyl)piperidine-1-carboxylic acid (PubChem CID 146302928) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(ethylaminomethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(ethylaminomethyl)piperidine-1-carboxylic acid
PubChem CID146302928
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(ethylaminomethyl)piperidine-1-carboxylic acid
SMILESCCNCC1CCCN(C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-2-10-6-8-4-3-5-11(7-8)9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyRRFIAFYEXKBTGU-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(ethylaminomethyl)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

3-(bromomethyl)piperidine-1-carboxylic acid
CID 57165302
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377
2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid
CID 64662613
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea
CID 62834194
2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 63847237
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
3-(butanoyloxymethyl)piperidine-1-carboxylic acid
CID 19081025
3-methylpiperidine-1-carboxylic acid
CID 22047728
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
N-[(1-cyclohexylpiperidin-3-yl)methyl]ethanamine
CID 63849672
3-(2-hydroxy-3,3-dimethylbutyl)piperidine-1-carboxylic acid
CID 172705786

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(ethylaminomethyl)piperidine-1-carboxylic acid (CID 146302928) is 3-(ethylaminomethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(ethylaminomethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(ethylaminomethyl)piperidine-1-carboxylic acid is CCNCC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-(ethylaminomethyl)piperidine-1-carboxylic acid?
The InChIKey is RRFIAFYEXKBTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-10-6-8-4-3-5-11(7-8)9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-(ethylaminomethyl)piperidine-1-carboxylic acid?
3-(ethylaminomethyl)piperidine-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 146302928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).