(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone

C17H16Cl2N2O2 — CID 122255743

IUPAC(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C17H16Cl2N2O2/c18-12-3-4-15(16(19)10-12)17(22)21-9-1-2-14(11-21)23-13-5-7-20-8-6-13/h3-8,10,14H,1-2,9,11H2
InChIKeyLTUMMMPLIXVHEJ-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.07
Rot. Bonds3

About (2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone

(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 122255743) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID122255743
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C17H16Cl2N2O2/c18-12-3-4-15(16(19)10-12)17(22)21-9-1-2-14(11-21)23-13-5-7-20-8-6-13/h3-8,10,14H,1-2,9,11H2
InChIKeyLTUMMMPLIXVHEJ-UHFFFAOYSA-N
XLogP4.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255746
(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255794
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255943
4-[1-(2,4-dichlorobenzoyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628714
methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122255912
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 122258823
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326
(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255852

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone (CID 122255743) is (2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of (2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is LTUMMMPLIXVHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-12-3-4-15(16(19)10-12)17(22)21-9-1-2-14(11-21)23-13-5-7-20-8-6-13/h3-8,10,14H,1-2,9,11H2.
What are the key properties of (2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 351.23 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122255743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).