(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone

C15H20Cl2N2O2 — CID 111105857

IUPAC(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
SMILESCCC(O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-2-12(20)10-18-5-7-19(8-6-18)15(21)13-4-3-11(16)9-14(13)17/h3-4,9,12,20H,2,5-8,10H2,1H3
InChIKeyRARFRJPBZVMVTR-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.52
Rot. Bonds4

About (2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone

(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone (PubChem CID 111105857) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
PubChem CID111105857
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
SMILESCCC(O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-2-12(20)10-18-5-7-19(8-6-18)15(21)13-4-3-11(16)9-14(13)17/h3-4,9,12,20H,2,5-8,10H2,1H3
InChIKeyRARFRJPBZVMVTR-UHFFFAOYSA-N
XLogP2.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 167937294
(2,4-dichlorophenyl)-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methanone
CID 78866935
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
(2-chloro-4-fluorophenyl)-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95322496
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497
(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95345550
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119281994
(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19295205
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95312025

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone (CID 111105857) is (2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone is CCC(O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The InChIKey is RARFRJPBZVMVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-2-12(20)10-18-5-7-19(8-6-18)15(21)13-4-3-11(16)9-14(13)17/h3-4,9,12,20H,2,5-8,10H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone has a molecular weight of 331.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 111105857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).