4-(3,4-dimethylpiperidin-1-yl)butanoic acid

C11H21NO2 — CID 115873359

IUPAC4-(3,4-dimethylpiperidin-1-yl)butanoic acid
SMILESCC1CCN(CCCC(=O)O)CC1C
InChIInChI=1S/C11H21NO2/c1-9-5-7-12(8-10(9)2)6-3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyLAACDWULRUQMFI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds4

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

4-(3,4-dimethylpiperidin-1-yl)butanoic acid (PubChem CID 115873359) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3,4-dimethylpiperidin-1-yl)butanoic acid
PubChem CID115873359
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(3,4-dimethylpiperidin-1-yl)butanoic acid
SMILESCC1CCN(CCCC(=O)O)CC1C
InChIInChI=1S/C11H21NO2/c1-9-5-7-12(8-10(9)2)6-3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyLAACDWULRUQMFI-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
CID 115873446
4-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]butanoic acid
CID 124778661
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
CID 119139664
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid
CID 150496556
4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
CID 106670158
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentanoic acid
CID 81200094
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
4-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687036
4-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 129379773

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(3,4-dimethylpiperidin-1-yl)butanoic acid (CID 115873359) is 4-(3,4-dimethylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3,4-dimethylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3,4-dimethylpiperidin-1-yl)butanoic acid is CC1CCN(CCCC(=O)O)CC1C.
What is the InChIKey of 4-(3,4-dimethylpiperidin-1-yl)butanoic acid?
The InChIKey is LAACDWULRUQMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-5-7-12(8-10(9)2)6-3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-(3,4-dimethylpiperidin-1-yl)butanoic acid?
4-(3,4-dimethylpiperidin-1-yl)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 115873359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).