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

C12H25N3O2 — CID 117011947

IUPAC1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid
SMILESCNC1(C(=O)O)CCN(CCCN(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-13-12(11(16)17)5-9-15(10-6-12)8-4-7-14(2)3/h13H,4-10H2,1-3H3,(H,16,17)
InChIKeyPMWXYHNGJKQFIF-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.08
Rot. Bonds6

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

1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid (PubChem CID 117011947) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid
PubChem CID117011947
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid
SMILESCNC1(C(=O)O)CCN(CCCN(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-13-12(11(16)17)5-9-15(10-6-12)8-4-7-14(2)3/h13H,4-10H2,1-3H3,(H,16,17)
InChIKeyPMWXYHNGJKQFIF-UHFFFAOYSA-N
XLogP0.08
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-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-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol
CID 117012027
1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
CID 43753645
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
3-(8-azaspiro[4.5]decan-8-yl)-N,N-dimethylpropan-1-amine
CID 129349796
1-ethyl-4-(methylamino)azepane-4-carboxylic acid
CID 65075798
1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid
CID 114525928
3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
CID 134842907
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]propanoic acid
CID 114525897
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid
CID 117013317
3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 117007579

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid (CID 117011947) is 1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid is CNC1(C(=O)O)CCN(CCCN(C)C)CC1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid?
The InChIKey is PMWXYHNGJKQFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-13-12(11(16)17)5-9-15(10-6-12)8-4-7-14(2)3/h13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid?
1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid has a molecular weight of 243.35 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 117011947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).