(4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone

C14H18Cl2N2O2 — CID 82553818

IUPAC(4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone
SMILESCCCOc1cc(Cl)c(Cl)cc1C(=O)N1CCNCC1
InChIInChI=1S/C14H18Cl2N2O2/c1-2-7-20-13-9-12(16)11(15)8-10(13)14(19)18-5-3-17-4-6-18/h8-9,17H,2-7H2,1H3
InChIKeyLTVFHFHHEFAXTB-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.83
Rot. Bonds4

About (4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone

(4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone (PubChem CID 82553818) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is (4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone
PubChem CID82553818
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name(4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone
SMILESCCCOc1cc(Cl)c(Cl)cc1C(=O)N1CCNCC1
InChIInChI=1S/C14H18Cl2N2O2/c1-2-7-20-13-9-12(16)11(15)8-10(13)14(19)18-5-3-17-4-6-18/h8-9,17H,2-7H2,1H3
InChIKeyLTVFHFHHEFAXTB-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-propoxyphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119414568
3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83937750
(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone
CID 82265444
(4,5-dichloro-2-methoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996486
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
[4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone
CID 121247762
(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
CID 103629624
1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82267669
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
CID 119445271
(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71973264
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone (CID 82553818) is (4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone is CCCOc1cc(Cl)c(Cl)cc1C(=O)N1CCNCC1.
What is the InChIKey of (4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone?
The InChIKey is LTVFHFHHEFAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-2-7-20-13-9-12(16)11(15)8-10(13)14(19)18-5-3-17-4-6-18/h8-9,17H,2-7H2,1H3.
What are the key properties of (4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone?
(4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone has a molecular weight of 317.22 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-2-propoxyphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82553818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).