2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one

C18H26Cl2N2O2 — CID 86895849

IUPAC2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(O)CN1CCN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N2O2/c1-17(2,24)12-21-7-9-22(10-8-21)16(23)18(3,4)13-5-6-14(19)15(20)11-13/h5-6,11,24H,7-10,12H2,1-4H3
InChIKeyNJYKLECHJAURMV-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.19
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one

2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 86895849) has the molecular formula C18H26Cl2N2O2 and a molecular weight of 373.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID86895849
Molecular FormulaC18H26Cl2N2O2
Molecular Weight373.32 g/mol
Exact Mass372.14
IUPAC Name2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(O)CN1CCN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N2O2/c1-17(2,24)12-21-7-9-22(10-8-21)16(23)18(3,4)13-5-6-14(19)15(20)11-13/h5-6,11,24H,7-10,12H2,1-4H3
InChIKeyNJYKLECHJAURMV-UHFFFAOYSA-N
XLogP3.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60605931
(2-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63657797
2-(3,4-dichlorophenyl)-2-methyl-1-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)propan-1-one
CID 166179620
(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656995
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63656391
N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide
CID 60622118
2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 166341270
2-(3,4-dichlorophenyl)-2-methylpropanoate
CID 51664096
1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 113197344
(2-amino-6-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656588
1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560
1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19295103

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one (CID 86895849) is 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)(O)CN1CCN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is NJYKLECHJAURMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O2/c1-17(2,24)12-21-7-9-22(10-8-21)16(23)18(3,4)13-5-6-14(19)15(20)11-13/h5-6,11,24H,7-10,12H2,1-4H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one?
2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 373.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 86895849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).