4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid

C11H22N2O2 — CID 114503544

IUPAC4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid
SMILESCC1CN(C)CCC1NCCCC(=O)O
InChIInChI=1S/C11H22N2O2/c1-9-8-13(2)7-5-10(9)12-6-3-4-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyLTIMKPQKPPCCGB-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds5

About 4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid

4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid (PubChem CID 114503544) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid
PubChem CID114503544
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid
SMILESCC1CN(C)CCC1NCCCC(=O)O
InChIInChI=1S/C11H22N2O2/c1-9-8-13(2)7-5-10(9)12-6-3-4-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyLTIMKPQKPPCCGB-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278
5-[(2-methylcyclopentyl)amino]pentanoic acid
CID 103251309
2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid
CID 114503113
N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine
CID 115714557
3-[(1,3-dimethylpiperidin-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 114505374
5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104931144
N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine
CID 103902206
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103268593
(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380
N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115718324
1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 104584715

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid?
The IUPAC name of 4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid (CID 114503544) is 4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid is CC1CN(C)CCC1NCCCC(=O)O.
What is the InChIKey of 4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid?
The InChIKey is LTIMKPQKPPCCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9-8-13(2)7-5-10(9)12-6-3-4-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid?
4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 114503544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).