2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid

C11H19NO4 — CID 117168672

IUPAC2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
SMILESO=C(O)CC1COC(CC2CCNCC2)O1
InChIInChI=1S/C11H19NO4/c13-10(14)6-9-7-15-11(16-9)5-8-1-3-12-4-2-8/h8-9,11-12H,1-7H2,(H,13,14)
InChIKeyZQIKWORWLCKSNP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.59
Rot. Bonds4

About 2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid

2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid (PubChem CID 117168672) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
PubChem CID117168672
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
SMILESO=C(O)CC1COC(CC2CCNCC2)O1
InChIInChI=1S/C11H19NO4/c13-10(14)6-9-7-15-11(16-9)5-8-1-3-12-4-2-8/h8-9,11-12H,1-7H2,(H,13,14)
InChIKeyZQIKWORWLCKSNP-UHFFFAOYSA-N
XLogP0.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117168668
2-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117168680
methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate
CID 117169263
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
2-[2-[(4-methylphenyl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117169666
2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid
CID 117170089
[2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
CID 115094596
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
2-(piperidin-4-ylmethylamino)acetic acid
CID 67168932
2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168464
[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine
CID 82776616
2-[(2R,4R)-2-(benzoyloxymethyl)-1,3-dioxolan-4-yl]acetic acid
CID 67215314

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid (CID 117168672) is 2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid is O=C(O)CC1COC(CC2CCNCC2)O1.
What is the InChIKey of 2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is ZQIKWORWLCKSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-10(14)6-9-7-15-11(16-9)5-8-1-3-12-4-2-8/h8-9,11-12H,1-7H2,(H,13,14).
What are the key properties of 2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid?
2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 117168672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).