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

C19H21Cl3N2O2 — CID 119562978

IUPAC[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1.Cl
InChIInChI=1S/C19H20Cl2N2O2.ClH/c1-22-14-9-11-23(12-10-14)19(24)13-5-7-15(8-6-13)25-17-4-2-3-16(20)18(17)21;/h2-8,14,22H,9-12H2,1H3;1H
InChIKeyATXIOTCCWQIAQZ-UHFFFAOYSA-N
MW415.75 g/mol
LogP5.03
Rot. Bonds4

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

[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119562978) has the molecular formula C19H21Cl3N2O2 and a molecular weight of 415.75 g/mol. Its IUPAC name is [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119562978
Molecular FormulaC19H21Cl3N2O2
Molecular Weight415.75 g/mol
Exact Mass414.07
IUPAC Name[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1.Cl
InChIInChI=1S/C19H20Cl2N2O2.ClH/c1-22-14-9-11-23(12-10-14)19(24)13-5-7-15(8-6-13)25-17-4-2-3-16(20)18(17)21;/h2-8,14,22H,9-12H2,1H3;1H
InChIKeyATXIOTCCWQIAQZ-UHFFFAOYSA-N
XLogP5.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.75
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545906
1,4-diazepan-1-yl-[4-(2,3-dichlorophenoxy)phenyl]methanone;hydrochloride
CID 119417574
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119544234
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119559842
2-(3-chloro-2-methylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119563520
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone;hydrochloride
CID 119560214

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119562978) is [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1.Cl.
What is the InChIKey of [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is ATXIOTCCWQIAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2.ClH/c1-22-14-9-11-23(12-10-14)19(24)13-5-7-15(8-6-13)25-17-4-2-3-16(20)18(17)21;/h2-8,14,22H,9-12H2,1H3;1H.
What are the key properties of [4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 415.75 g/mol, XLogP of 5.03, 4 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-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119562978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).