[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C20H23Cl3N2O2 — CID 119545906

IUPAC[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1.Cl
InChIInChI=1S/C20H22Cl2N2O2.ClH/c1-23-13-14-9-11-24(12-10-14)20(25)15-5-7-16(8-6-15)26-18-4-2-3-17(21)19(18)22;/h2-8,14,23H,9-13H2,1H3;1H
InChIKeyXOLJFFSBKSFTSY-UHFFFAOYSA-N
MW429.78 g/mol
LogP5.28
Rot. Bonds5

About [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119545906) has the molecular formula C20H23Cl3N2O2 and a molecular weight of 429.78 g/mol. Its IUPAC name is [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119545906
Molecular FormulaC20H23Cl3N2O2
Molecular Weight429.78 g/mol
Exact Mass428.08
IUPAC Name[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1.Cl
InChIInChI=1S/C20H22Cl2N2O2.ClH/c1-23-13-14-9-11-24(12-10-14)20(25)15-5-7-16(8-6-15)26-18-4-2-3-17(21)19(18)22;/h2-8,14,23H,9-13H2,1H3;1H
InChIKeyXOLJFFSBKSFTSY-UHFFFAOYSA-N
XLogP5.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.78
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562978
[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119544234
1,4-diazepan-1-yl-[4-(2,3-dichlorophenoxy)phenyl]methanone;hydrochloride
CID 119417574
[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540458

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119545906) is [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1.Cl.
What is the InChIKey of [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is XOLJFFSBKSFTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2.ClH/c1-23-13-14-9-11-24(12-10-14)20(25)15-5-7-16(8-6-15)26-18-4-2-3-17(21)19(18)22;/h2-8,14,23H,9-13H2,1H3;1H.
What are the key properties of [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 429.78 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119545906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).