[2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone

C19H20Cl2N2O2 — CID 119562310

IUPAC[2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H20Cl2N2O2/c1-22-14-8-10-23(11-9-14)19(24)15-4-2-3-5-17(15)25-18-7-6-13(20)12-16(18)21/h2-7,12,14,22H,8-11H2,1H3
InChIKeyKCRNRABZOATYAT-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.61
Rot. Bonds4

About [2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone

[2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119562310) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is [2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119562310
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name[2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H20Cl2N2O2/c1-22-14-8-10-23(11-9-14)19(24)15-4-2-3-5-17(15)25-18-7-6-13(20)12-16(18)21/h2-7,12,14,22H,8-11H2,1H3
InChIKeyKCRNRABZOATYAT-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 15951685
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493762
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 60590462
1-[4-[[2-(2,4-dichlorophenoxy)anilino]-hydroxymethyl]piperidin-1-yl]ethanone
CID 143387963
(5-chloro-2-nitrophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560237
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(4-aminopiperidin-1-yl)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 119374451
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone (CID 119562310) is [2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of [2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is KCRNRABZOATYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-22-14-8-10-23(11-9-14)19(24)15-4-2-3-5-17(15)25-18-7-6-13(20)12-16(18)21/h2-7,12,14,22H,8-11H2,1H3.
What are the key properties of [2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone?
[2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 379.29 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119562310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).