1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate

C17H25NO3 — CID 2930365

IUPAC1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-14(13-18-10-4-3-5-11-18)21-17(19)12-15-6-8-16(20-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyVQXJELAYBFYCMM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.66
Rot. Bonds6

About 1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate

1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate (PubChem CID 2930365) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
PubChem CID2930365
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-14(13-18-10-4-3-5-11-18)21-17(19)12-15-6-8-16(20-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyVQXJELAYBFYCMM-UHFFFAOYSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate (CID 2930365) is 1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OC(C)CN2CCCCC2)cc1.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
The InChIKey is VQXJELAYBFYCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14(13-18-10-4-3-5-11-18)21-17(19)12-15-6-8-16(20-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate has a molecular weight of 291.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2930365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).