2,2-dimethyl-6-piperidin-1-ylhexanoic acid

C13H25NO2 — CID 106713861

IUPAC2,2-dimethyl-6-piperidin-1-ylhexanoic acid
SMILESCC(C)(CCCCN1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-13(2,12(15)16)8-4-7-11-14-9-5-3-6-10-14/h3-11H2,1-2H3,(H,15,16)
InChIKeyQTFYRAJQQYKRTF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds6

About 2,2-dimethyl-6-piperidin-1-ylhexanoic acid

2,2-dimethyl-6-piperidin-1-ylhexanoic acid (PubChem CID 106713861) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2-dimethyl-6-piperidin-1-ylhexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-piperidin-1-ylhexanoic acid
PubChem CID106713861
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,2-dimethyl-6-piperidin-1-ylhexanoic acid
SMILESCC(C)(CCCCN1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-13(2,12(15)16)8-4-7-11-14-9-5-3-6-10-14/h3-11H2,1-2H3,(H,15,16)
InChIKeyQTFYRAJQQYKRTF-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

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
CID 106714030
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850
1-(11,11-dimethyldodecyl)piperidine
CID 118887407
2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid
CID 65254899
2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 65248275
5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid
CID 79183884
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid
CID 62993597
2,2-dimethyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoic acid
CID 106714107
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylhexanoic acid
CID 106713887

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-piperidin-1-ylhexanoic acid?
The IUPAC name of 2,2-dimethyl-6-piperidin-1-ylhexanoic acid (CID 106713861) is 2,2-dimethyl-6-piperidin-1-ylhexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-piperidin-1-ylhexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-piperidin-1-ylhexanoic acid is CC(C)(CCCCN1CCCCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-6-piperidin-1-ylhexanoic acid?
The InChIKey is QTFYRAJQQYKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,12(15)16)8-4-7-11-14-9-5-3-6-10-14/h3-11H2,1-2H3,(H,15,16).
What are the key properties of 2,2-dimethyl-6-piperidin-1-ylhexanoic acid?
2,2-dimethyl-6-piperidin-1-ylhexanoic 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 2,2-dimethyl-6-piperidin-1-ylhexanoic acid is sourced from PubChem (CID 106713861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).