2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid

C13H24N2O2 — CID 65069382

IUPAC2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid
SMILESCCCN1CCC(N2CC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-5-14-6-3-12(4-7-14)15-9-11(10-15)8-13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyQIUKDCYGBKNQRA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.27
Rot. Bonds5

About 2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid

2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid (PubChem CID 65069382) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid
PubChem CID65069382
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid
SMILESCCCN1CCC(N2CC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-5-14-6-3-12(4-7-14)15-9-11(10-15)8-13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyQIUKDCYGBKNQRA-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
2-[4-(1-propylpiperidin-4-yl)morpholin-2-yl]acetic acid
CID 66434708
2-[1-(4-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64747382
[1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanol
CID 64866043
2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
CID 170915600
ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
CID 169158837
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
(3S)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 30982597
2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 106821074
2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid
CID 83198549
2-[1,1-dioxo-4-(1-propylpiperidin-4-yl)-1,4-thiazinan-3-yl]acetic acid
CID 80520632
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid (CID 65069382) is 2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid is CCCN1CCC(N2CC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid?
The InChIKey is QIUKDCYGBKNQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-5-14-6-3-12(4-7-14)15-9-11(10-15)8-13(16)17/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid?
2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid has a molecular weight of 240.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 65069382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).