2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid

C14H27NO2 — CID 117024642

IUPAC2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid
SMILESCCCCCN1CCC(CC(=O)O)C(C)(C)C1
InChIInChI=1S/C14H27NO2/c1-4-5-6-8-15-9-7-12(10-13(16)17)14(2,3)11-15/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyIWFKJCCKRIYCFP-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds6

About 2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid

2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid (PubChem CID 117024642) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid
PubChem CID117024642
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid
SMILESCCCCCN1CCC(CC(=O)O)C(C)(C)C1
InChIInChI=1S/C14H27NO2/c1-4-5-6-8-15-9-7-12(10-13(16)17)14(2,3)11-15/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyIWFKJCCKRIYCFP-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
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-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024633
2-[1-(3-methoxypropyl)-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024630
2-(1-butyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025523
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid
CID 117017328
2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol
CID 117024655
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 117017329
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid
CID 129322928
2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid
CID 128964498
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid (CID 117024642) is 2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid is CCCCCN1CCC(CC(=O)O)C(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid?
The InChIKey is IWFKJCCKRIYCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-6-8-15-9-7-12(10-13(16)17)14(2,3)11-15/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid?
2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 117024642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).