2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid

C13H25NO2 — CID 117025525

IUPAC2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid
SMILESCCC(C)N1CCC(C)(C)C(CC(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-5-10(2)14-7-6-13(3,4)11(9-14)8-12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyFPXAJXJYJVSOHQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds4

About 2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid

2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid (PubChem CID 117025525) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid
PubChem CID117025525
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid
SMILESCCC(C)N1CCC(C)(C)C(CC(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-5-10(2)14-7-6-13(3,4)11(9-14)8-12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyFPXAJXJYJVSOHQ-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-butyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025523
2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025539
2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid
CID 117025549
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine
CID 130949541
1-butan-2-yl-3-chloropyrrolidine
CID 79445434
2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid
CID 174164548
3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid
CID 103356700
3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 65064069
(3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol
CID 117012200
propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate
CID 142960117

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid (CID 117025525) is 2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid is CCC(C)N1CCC(C)(C)C(CC(=O)O)C1.
What is the InChIKey of 2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid?
The InChIKey is FPXAJXJYJVSOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-10(2)14-7-6-13(3,4)11(9-14)8-12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid?
2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 117025525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).