1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one

C14H17Cl2NO2 — CID 107311349

IUPAC1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one
SMILESO=C(COC1CCNCC1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-13-3-1-2-10(14(13)16)8-11(18)9-19-12-4-6-17-7-5-12/h1-3,12,17H,4-9H2
InChIKeyHTTOLQUQQZLXKF-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.87
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one

1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one (PubChem CID 107311349) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one
PubChem CID107311349
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one
SMILESO=C(COC1CCNCC1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-13-3-1-2-10(14(13)16)8-11(18)9-19-12-4-6-17-7-5-12/h1-3,12,17H,4-9H2
InChIKeyHTTOLQUQQZLXKF-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone
CID 116570961
4-[(3-chloro-2-fluorophenyl)methoxy]piperidine
CID 103695215
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571176
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945
N-(2,6-dibromophenyl)-2-piperidin-4-yloxyacetamide
CID 107599717
carbonic acid;4-(2-chlorophenoxy)piperidine
CID 23722971
methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate
CID 107305584
1-(5-ethyl-2-pyridinyl)-3-piperidin-4-yloxypropan-2-one
CID 116570986
1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571131
2-chloro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63871254
3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one (CID 107311349) is 1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one is O=C(COC1CCNCC1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one?
The InChIKey is HTTOLQUQQZLXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-13-3-1-2-10(14(13)16)8-11(18)9-19-12-4-6-17-7-5-12/h1-3,12,17H,4-9H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one?
1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one has a molecular weight of 302.20 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one is sourced from PubChem (CID 107311349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).