2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate

C17H26NO4+ — CID 167316415

IUPAC2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OC(C)(C)C1CC[NH2+]CC1
InChIInChI=1S/C17H25NO4/c1-17(2,13-8-10-18-11-9-13)22-16(19)12-21-15-7-5-4-6-14(15)20-3/h4-7,13,18H,8-12H2,1-3H3/p+1
InChIKeyXYVXJMMLKPIGRV-UHFFFAOYSA-O
MW308.40 g/mol
LogP1.37
Rot. Bonds6

About 2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate

2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate (PubChem CID 167316415) has the molecular formula C17H26NO4+ and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate
PubChem CID167316415
Molecular FormulaC17H26NO4+
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OC(C)(C)C1CC[NH2+]CC1
InChIInChI=1S/C17H25NO4/c1-17(2,13-8-10-18-11-9-13)22-16(19)12-21-15-7-5-4-6-14(15)20-3/h4-7,13,18H,8-12H2,1-3H3/p+1
InChIKeyXYVXJMMLKPIGRV-UHFFFAOYSA-O
XLogP1.37
TPSA61.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-ium-4-ylpropan-2-yl 2-hydroxy-3-methoxybenzoate
CID 167315424
2-piperidin-1-ium-4-ylpropan-2-yl 2-(3-nitrophenoxy)acetate
CID 167316170
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
2-piperidin-1-ium-4-ylpropan-2-yl 2-iodoacetate
CID 162508102
2-piperidin-1-ium-4-ylpropan-2-yl 2-methyl-2-phenylpropanoate
CID 167315286
2-piperidin-1-ium-4-ylpropan-2-yl butanoate
CID 167316100
2-piperidin-1-ium-4-ylpropan-2-yl 2-(3-bromophenyl)acetate
CID 167314674
2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate
CID 167314662
[(1R,2R)-2-methoxycyclopentyl] 2-(2-methoxyphenoxy)acetate
CID 96523723
2-piperidin-1-ium-4-ylpropan-2-yl 2-[(3-methylbenzoyl)amino]acetate
CID 167315044
2-piperidin-1-ium-4-ylpropan-2-yl 2-bromo-4-methoxy-6-phenylmethoxybenzoate
CID 167314801
tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate
CID 142585494

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate?
The IUPAC name of 2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate (CID 167316415) is 2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for 2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for 2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OC(C)(C)C1CC[NH2+]CC1.
What is the InChIKey of 2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate?
The InChIKey is XYVXJMMLKPIGRV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25NO4/c1-17(2,13-8-10-18-11-9-13)22-16(19)12-21-15-7-5-4-6-14(15)20-3/h4-7,13,18H,8-12H2,1-3H3/p+1.
What are the key properties of 2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate?
2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate has a molecular weight of 308.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-4-ylpropan-2-yl 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 167316415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).