1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone

C17H25NO2 — CID 79548752

IUPAC1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCCCC2CC(C)O)c1
InChIInChI=1S/C17H25NO2/c1-13-6-5-7-15(10-13)12-17(20)18-9-4-3-8-16(18)11-14(2)19/h5-7,10,14,16,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyQVINMJNLCNUJDS-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.69
Rot. Bonds4

About 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone

1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 79548752) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID79548752
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCCCC2CC(C)O)c1
InChIInChI=1S/C17H25NO2/c1-13-6-5-7-15(10-13)12-17(20)18-9-4-3-8-16(18)11-14(2)19/h5-7,10,14,16,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyQVINMJNLCNUJDS-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone (CID 79548752) is 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCCCC2CC(C)O)c1.
What is the InChIKey of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is QVINMJNLCNUJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-6-5-7-15(10-13)12-17(20)18-9-4-3-8-16(18)11-14(2)19/h5-7,10,14,16,19H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 79548752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).