3-(2-propylpiperidin-1-yl)butanoic acid

C12H23NO2 — CID 83055410

IUPAC3-(2-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1CCCCN1C(C)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-3-6-11-7-4-5-8-13(11)10(2)9-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyXFYDLPCKBPEIFR-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.50
Rot. Bonds5

About 3-(2-propylpiperidin-1-yl)butanoic acid

3-(2-propylpiperidin-1-yl)butanoic acid (PubChem CID 83055410) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2-propylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-propylpiperidin-1-yl)butanoic acid
PubChem CID83055410
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(2-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1CCCCN1C(C)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-3-6-11-7-4-5-8-13(11)10(2)9-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyXFYDLPCKBPEIFR-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-propylpiperidin-1-yl)pentan-3-one
CID 83056378
4-(2-propylpiperidin-1-yl)pentanehydrazide
CID 83056932
3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 83055756
2-chloro-2-(2-propylpiperidin-1-yl)acetamide
CID 70633548
4-amino-2-(2-propylpiperidin-1-yl)butanoic acid
CID 83057524
4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 83055439
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659
3-(2-ethylpiperidin-1-yl)butanehydrazide
CID 63573262
3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062585
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
2-(2-propylpiperidin-1-yl)pentan-3-amine
CID 83053461
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylpiperidin-1-yl)butanoic acid?
The IUPAC name of 3-(2-propylpiperidin-1-yl)butanoic acid (CID 83055410) is 3-(2-propylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(2-propylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 3-(2-propylpiperidin-1-yl)butanoic acid is CCCC1CCCCN1C(C)CC(=O)O.
What is the InChIKey of 3-(2-propylpiperidin-1-yl)butanoic acid?
The InChIKey is XFYDLPCKBPEIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-6-11-7-4-5-8-13(11)10(2)9-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-propylpiperidin-1-yl)butanoic acid?
3-(2-propylpiperidin-1-yl)butanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 83055410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).