methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate

C17H25NO3 — CID 5260405

IUPACmethyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCC(CC(O)c2ccccc2)N1C
InChIInChI=1S/C17H25NO3/c1-18-14(9-6-10-15(18)12-17(20)21-2)11-16(19)13-7-4-3-5-8-13/h3-5,7-8,14-16,19H,6,9-12H2,1-2H3
InChIKeyDNCUXQAGJYIKSA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.53
Rot. Bonds5

About methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate

methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate (PubChem CID 5260405) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate
PubChem CID5260405
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCC(CC(O)c2ccccc2)N1C
InChIInChI=1S/C17H25NO3/c1-18-14(9-6-10-15(18)12-17(20)21-2)11-16(19)13-7-4-3-5-8-13/h3-5,7-8,14-16,19H,6,9-12H2,1-2H3
InChIKeyDNCUXQAGJYIKSA-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Npc209773
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Npc13206
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Ipratropium
CID 657309
Phenoperidine
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Atrovent Hfa
CID 3746
(8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Yl) 3-Hydroxy-2-Phenylpropanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate?
The IUPAC name of methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate (CID 5260405) is methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate is COC(=O)CC1CCCC(CC(O)c2ccccc2)N1C.
What is the InChIKey of methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate?
The InChIKey is DNCUXQAGJYIKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18-14(9-6-10-15(18)12-17(20)21-2)11-16(19)13-7-4-3-5-8-13/h3-5,7-8,14-16,19H,6,9-12H2,1-2H3.
What are the key properties of methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate?
methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate has a molecular weight of 291.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate is sourced from PubChem (CID 5260405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).