(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone

C15H19Cl2NO — CID 59744722

IUPAC(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C15H19Cl2NO/c1-2-6-15(7-3-8-18-10-15)14(19)11-4-5-12(16)13(17)9-11/h4-5,9,18H,2-3,6-8,10H2,1H3
InChIKeyZFNRTPJFVBEJML-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.35
Rot. Bonds4

About (3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone

(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 59744722) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
PubChem CID59744722
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C15H19Cl2NO/c1-2-6-15(7-3-8-18-10-15)14(19)11-4-5-12(16)13(17)9-11/h4-5,9,18H,2-3,6-8,10H2,1H3
InChIKeyZFNRTPJFVBEJML-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 59744658
(3,4-dichlorophenyl)-[(3R)-3-(3-methylbutyl)pyrrolidin-3-yl]methanone
CID 59744909
(3,4-dichlorophenyl)-[(3S)-3-(3-methylbutyl)pyrrolidin-3-yl]methanone
CID 59744763
2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
CID 116569748
(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569714
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone
CID 116569633
(4-chloro-3-phenylsulfanylphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 44547630
(3,4-dichlorophenyl)-[(5S)-3-propyl-8-azabicyclo[3.2.1]octan-3-yl]methanone
CID 71095335
(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
CID 56932357

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone (CID 59744722) is (3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)c2ccc(Cl)c(Cl)c2)CCCNC1.
What is the InChIKey of (3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is ZFNRTPJFVBEJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-2-6-15(7-3-8-18-10-15)14(19)11-4-5-12(16)13(17)9-11/h4-5,9,18H,2-3,6-8,10H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone?
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 300.23 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 59744722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).