1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone

C15H20ClNO2 — CID 80740906

IUPAC1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccccc1O)N1CCCC(CCCl)C1
InChIInChI=1S/C15H20ClNO2/c16-8-7-12-4-3-9-17(11-12)15(19)10-13-5-1-2-6-14(13)18/h1-2,5-6,12,18H,3-4,7-11H2
InChIKeyPXCNGTJTBHCJSJ-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.80
Rot. Bonds4

About 1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone

1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone (PubChem CID 80740906) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
PubChem CID80740906
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccccc1O)N1CCCC(CCCl)C1
InChIInChI=1S/C15H20ClNO2/c16-8-7-12-4-3-9-17(11-12)15(19)10-13-5-1-2-6-14(13)18/h1-2,5-6,12,18H,3-4,7-11H2
InChIKeyPXCNGTJTBHCJSJ-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63396274
1-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 95554785
2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 166236384
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 63393016
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78992664
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
2-(2-chlorophenyl)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 94796002

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The IUPAC name of 1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone (CID 80740906) is 1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone is O=C(Cc1ccccc1O)N1CCCC(CCCl)C1.
What is the InChIKey of 1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The InChIKey is PXCNGTJTBHCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-8-7-12-4-3-9-17(11-12)15(19)10-13-5-1-2-6-14(13)18/h1-2,5-6,12,18H,3-4,7-11H2.
What are the key properties of 1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone has a molecular weight of 281.78 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 80740906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).