(1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate

C16H23NO3 — CID 3030759

IUPAC(1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate
SMILESCOCCC(=O)OC1CCN(C)CC1c1ccccc1
InChIInChI=1S/C16H23NO3/c1-17-10-8-15(20-16(18)9-11-19-2)14(12-17)13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKeyXXBPAHTYVUOJKS-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.05
Rot. Bonds5

About (1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate

(1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate (PubChem CID 3030759) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate.

Molecular Properties

Compound Name(1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate
PubChem CID3030759
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate
SMILESCOCCC(=O)OC1CCN(C)CC1c1ccccc1
InChIInChI=1S/C16H23NO3/c1-17-10-8-15(20-16(18)9-11-19-2)14(12-17)13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKeyXXBPAHTYVUOJKS-UHFFFAOYSA-N
XLogP2.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate?
The IUPAC name of (1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate (CID 3030759) is (1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate.
What is the SMILES notation for (1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate?
The canonical SMILES for (1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate is COCCC(=O)OC1CCN(C)CC1c1ccccc1.
What is the InChIKey of (1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate?
The InChIKey is XXBPAHTYVUOJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17-10-8-15(20-16(18)9-11-19-2)14(12-17)13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3.
What are the key properties of (1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate?
(1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate has a molecular weight of 277.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenylpiperidin-4-yl) 3-methoxypropanoate is sourced from PubChem (CID 3030759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).