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

C15H30N2O2 — CID 81047036

IUPAC3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
SMILESCCN(CC)CCN1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C15H30N2O2/c1-4-16(5-2)9-10-17-8-6-7-14(12-17)13(3)11-15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyDFLCTLXPTITSSU-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.15
Rot. Bonds8

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

3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid (PubChem CID 81047036) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
PubChem CID81047036
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
SMILESCCN(CC)CCN1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C15H30N2O2/c1-4-16(5-2)9-10-17-8-6-7-14(12-17)13(3)11-15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyDFLCTLXPTITSSU-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-nonylpiperidin-3-yl)butanoic acid
CID 81047349
3-[1-(2-propylsulfonylethyl)piperidin-3-yl]butanoic acid
CID 106727653
3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid
CID 81046673
3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
CID 81046095
3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid
CID 81048822
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63852890
N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
CID 123857151
3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046459
3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid
CID 81049391
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81048636
3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid
CID 81048995

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid (CID 81047036) is 3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid is CCN(CC)CCN1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid?
The InChIKey is DFLCTLXPTITSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-16(5-2)9-10-17-8-6-7-14(12-17)13(3)11-15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid?
3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81047036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).