4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid

C13H25NO2 — CID 119139251

IUPAC4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1(C)CCCN(CCCC(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-3-7-13(2)8-5-10-14(11-13)9-4-6-12(15)16/h3-11H2,1-2H3,(H,15,16)
InChIKeyRZSWKHXVMOYTFH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds6

About 4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid

4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid (PubChem CID 119139251) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid
PubChem CID119139251
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1(C)CCCN(CCCC(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-3-7-13(2)8-5-10-14(11-13)9-4-6-12(15)16/h3-11H2,1-2H3,(H,15,16)
InChIKeyRZSWKHXVMOYTFH-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methyl-3-propylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981801
1-ethyl-3-methyl-3-propylpiperidine
CID 130676337
2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid
CID 117013317
5-(4-hydroxy-4-methylazepan-1-yl)pentanoic acid
CID 107405145
6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347
5-(3-fluoro-3-methylpyrrolidin-1-yl)pentanoic acid
CID 163404212
7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
CID 176680296
4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one
CID 119328278
4-(2,2-dimethylmorpholin-4-yl)butanoic acid
CID 43593005
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038
1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid (CID 119139251) is 4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid is CCCC1(C)CCCN(CCCC(=O)O)C1.
What is the InChIKey of 4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid?
The InChIKey is RZSWKHXVMOYTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-7-13(2)8-5-10-14(11-13)9-4-6-12(15)16/h3-11H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid?
4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 119139251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).