3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid

C18H35NO2 — CID 81047869

IUPAC3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid
SMILESCCCCCCCC(C)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C18H35NO2/c1-4-5-6-7-8-10-16(3)19-12-9-11-17(14-19)15(2)13-18(20)21/h15-17H,4-14H2,1-3H3,(H,20,21)
InChIKeyNSWIBYYJCUMGTR-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.56
Rot. Bonds10

About 3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid

3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid (PubChem CID 81047869) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid
PubChem CID81047869
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid
SMILESCCCCCCCC(C)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C18H35NO2/c1-4-5-6-7-8-10-16(3)19-12-9-11-17(14-19)15(2)13-18(20)21/h15-17H,4-14H2,1-3H3,(H,20,21)
InChIKeyNSWIBYYJCUMGTR-UHFFFAOYSA-N
XLogP4.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.56
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

3-(1-nonylpiperidin-3-yl)butanoic acid
CID 81047349
3-[1-(4-methoxy-4-methylpentan-2-yl)piperidin-3-yl]butanoic acid
CID 81046314
3-[1-(2,6-dimethylheptan-4-yl)piperidin-3-yl]butanoic acid
CID 114867007
3-pyrrolidin-1-yldecanoic acid
CID 64526772
3-piperidin-1-ylnonanoic acid
CID 64527594
3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid
CID 81046243
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
1-dodecan-2-ylpyrrolidine
CID 70871228
3-[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81048429
3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid
CID 81046611
2-(1-octan-2-ylazetidin-3-yl)acetic acid
CID 65069289
1-octan-2-ylpyrrolidine-2-carboxylic acid
CID 65056476

Frequently Asked Questions

What is the IUPAC name of 3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid?
The IUPAC name of 3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid (CID 81047869) is 3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid.
What is the SMILES notation for 3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid?
The canonical SMILES for 3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid is CCCCCCCC(C)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid?
The InChIKey is NSWIBYYJCUMGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-5-6-7-8-10-16(3)19-12-9-11-17(14-19)15(2)13-18(20)21/h15-17H,4-14H2,1-3H3,(H,20,21).
What are the key properties of 3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid?
3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid has a molecular weight of 297.48 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid is sourced from PubChem (CID 81047869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).