(3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone

C17H23Cl2NO2 — CID 44548083

IUPAC(3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone
SMILESCOC(C)(C)CC1(C(=O)c2ccc(Cl)c(Cl)c2)CCNCC1
InChIInChI=1S/C17H23Cl2NO2/c1-16(2,22-3)11-17(6-8-20-9-7-17)15(21)12-4-5-13(18)14(19)10-12/h4-5,10,20H,6-9,11H2,1-3H3
InChIKeyQPGJMXWLLYNDLF-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.36
Rot. Bonds5

About (3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone

(3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone (PubChem CID 44548083) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone
PubChem CID44548083
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC Name(3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone
SMILESCOC(C)(C)CC1(C(=O)c2ccc(Cl)c(Cl)c2)CCNCC1
InChIInChI=1S/C17H23Cl2NO2/c1-16(2,22-3)11-17(6-8-20-9-7-17)15(21)12-4-5-13(18)14(19)10-12/h4-5,10,20H,6-9,11H2,1-3H3
InChIKeyQPGJMXWLLYNDLF-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-[(3R)-3-(3-methylbutyl)pyrrolidin-3-yl]methanone
CID 59744909
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
(3,4-dichlorophenyl)-[(3S)-3-(3-methylbutyl)pyrrolidin-3-yl]methanone
CID 59744763
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate
CID 155075487
(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
CID 56932357
1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one
CID 79198318
(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
CID 107561270
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624881
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone (CID 44548083) is (3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone is COC(C)(C)CC1(C(=O)c2ccc(Cl)c(Cl)c2)CCNCC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone?
The InChIKey is QPGJMXWLLYNDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-16(2,22-3)11-17(6-8-20-9-7-17)15(21)12-4-5-13(18)14(19)10-12/h4-5,10,20H,6-9,11H2,1-3H3.
What are the key properties of (3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone?
(3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone has a molecular weight of 344.28 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 44548083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).