2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid

C14H27NO2 — CID 117021293

IUPAC2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid
SMILESCCCCCN1CC(CC(=O)O)CCC1(C)C
InChIInChI=1S/C14H27NO2/c1-4-5-6-9-15-11-12(10-13(16)17)7-8-14(15,2)3/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyLAYUBAVGFHMHGH-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds6

About 2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid

2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid (PubChem CID 117021293) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid
PubChem CID117021293
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid
SMILESCCCCCN1CC(CC(=O)O)CCC1(C)C
InChIInChI=1S/C14H27NO2/c1-4-5-6-9-15-11-12(10-13(16)17)7-8-14(15,2)3/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyLAYUBAVGFHMHGH-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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-(4,4-diethylcyclohexyl)acetic acid
CID 123185635
5,5-dimethyl-1-pentylpyrrolidine-3-carboxylic acid
CID 117018394
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine
CID 117018936
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2,2,5-trimethyl-1-pentylpiperazine
CID 64845904
2-(1-methyl-2-oxo-3-pentyl-1,3-diazinan-5-yl)acetic acid
CID 117002198
2-(3-hydroxy-3-pentylcyclohexyl)acetic acid
CID 70610596
2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid
CID 117024642
2-(1-butyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025523
2-(1-octan-2-ylazetidin-3-yl)acetic acid
CID 65069289

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid (CID 117021293) is 2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid is CCCCCN1CC(CC(=O)O)CCC1(C)C.
What is the InChIKey of 2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid?
The InChIKey is LAYUBAVGFHMHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-6-9-15-11-12(10-13(16)17)7-8-14(15,2)3/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid?
2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 117021293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).