2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone

C14H18ClNO3 — CID 43421400

IUPAC2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCCCC1CO
InChIInChI=1S/C14H18ClNO3/c15-11-4-3-6-13(8-11)19-10-14(18)16-7-2-1-5-12(16)9-17/h3-4,6,8,12,17H,1-2,5,7,9-10H2
InChIKeyBODGWTIKAPUMFX-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.09
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone

2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 43421400) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID43421400
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCCCC1CO
InChIInChI=1S/C14H18ClNO3/c15-11-4-3-6-13(8-11)19-10-14(18)16-7-2-1-5-12(16)9-17/h3-4,6,8,12,17H,1-2,5,7,9-10H2
InChIKeyBODGWTIKAPUMFX-UHFFFAOYSA-N
XLogP2.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)azepan-1-yl]-2-(3-chlorophenoxy)ethanone
CID 116639330
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(3-chlorophenoxy)ethanone
CID 80678728
2-(3-fluorophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260737
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941
2-(3,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636323
N-[2-(3-chlorophenoxy)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427995
(2R,3R)-1-[2-(3-chlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114931
2-(4-bromophenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635875
1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 116636305
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
2-(3-chlorophenoxy)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030575
1-[2-(chloromethyl)azepan-1-yl]-2-phenoxyethanone
CID 116639088

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone (CID 43421400) is 2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(COc1cccc(Cl)c1)N1CCCCC1CO.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is BODGWTIKAPUMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-11-4-3-6-13(8-11)19-10-14(18)16-7-2-1-5-12(16)9-17/h3-4,6,8,12,17H,1-2,5,7,9-10H2.
What are the key properties of 2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 283.75 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 43421400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).