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

C11H21NO2 — CID 62936230

IUPAC4-(4,4-dimethylpiperidin-1-yl)butanoic acid
SMILESCC1(C)CCN(CCCC(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-11(2)5-8-12(9-6-11)7-3-4-10(13)14/h3-9H2,1-2H3,(H,13,14)
InChIKeyIPLYKTQDNODMQJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

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

4-(4,4-dimethylpiperidin-1-yl)butanoic acid (PubChem CID 62936230) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)butanoic acid
PubChem CID62936230
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)butanoic acid
SMILESCC1(C)CCN(CCCC(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-11(2)5-8-12(9-6-11)7-3-4-10(13)14/h3-9H2,1-2H3,(H,13,14)
InChIKeyIPLYKTQDNODMQJ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)butanoic acid (CID 62936230) is 4-(4,4-dimethylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)butanoic acid is CC1(C)CCN(CCCC(=O)O)CC1.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)butanoic acid?
The InChIKey is IPLYKTQDNODMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2)5-8-12(9-6-11)7-3-4-10(13)14/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)butanoic acid?
4-(4,4-dimethylpiperidin-1-yl)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 62936230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).