3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid

C17H32N2O2 — CID 81048822

IUPAC3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(CCC2CCCCN2C)C1
InChIInChI=1S/C17H32N2O2/c1-14(12-17(20)21)15-6-5-10-19(13-15)11-8-16-7-3-4-9-18(16)2/h14-16H,3-13H2,1-2H3,(H,20,21)
InChIKeyFBLZMRFVMCLBJS-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.68
Rot. Bonds6

About 3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid

3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid (PubChem CID 81048822) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid
PubChem CID81048822
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(CCC2CCCCN2C)C1
InChIInChI=1S/C17H32N2O2/c1-14(12-17(20)21)15-6-5-10-19(13-15)11-8-16-7-3-4-9-18(16)2/h14-16H,3-13H2,1-2H3,(H,20,21)
InChIKeyFBLZMRFVMCLBJS-UHFFFAOYSA-N
XLogP2.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine
CID 107910860
3-(1-nonylpiperidin-3-yl)butanoic acid
CID 81047349
3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid
CID 81046673
3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
CID 81047036
3-[1-(2-propylsulfonylethyl)piperidin-3-yl]butanoic acid
CID 106727653
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
CID 81046095
ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
CID 81338983
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 55226113
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid (CID 81048822) is 3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(CCC2CCCCN2C)C1.
What is the InChIKey of 3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid?
The InChIKey is FBLZMRFVMCLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(12-17(20)21)15-6-5-10-19(13-15)11-8-16-7-3-4-9-18(16)2/h14-16H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid?
3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid has a molecular weight of 296.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81048822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).