2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone

C16H21Cl2NO — CID 116569084

IUPAC2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(Cl)cccc2Cl)CCNCC1
InChIInChI=1S/C16H21Cl2NO/c1-2-6-16(7-9-19-10-8-16)15(20)11-12-13(17)4-3-5-14(12)18/h3-5,19H,2,6-11H2,1H3
InChIKeyBQRDMYKOUVUYPW-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.27
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone

2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone (PubChem CID 116569084) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
PubChem CID116569084
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(Cl)cccc2Cl)CCNCC1
InChIInChI=1S/C16H21Cl2NO/c1-2-6-16(7-9-19-10-8-16)15(20)11-12-13(17)4-3-5-14(12)18/h3-5,19H,2,6-11H2,1H3
InChIKeyBQRDMYKOUVUYPW-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569209
2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976775
2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569203
2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 105411935
2-(3-chloro-2-fluorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 102865090
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
CID 56932357
2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450231
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone (CID 116569084) is 2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone is CCCC1(C(=O)Cc2c(Cl)cccc2Cl)CCNCC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The InChIKey is BQRDMYKOUVUYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-2-6-16(7-9-19-10-8-16)15(20)11-12-13(17)4-3-5-14(12)18/h3-5,19H,2,6-11H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone has a molecular weight of 314.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 116569084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).