1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol

C13H19Cl2N3O — CID 58358793

IUPAC1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
SMILESNCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O/c14-11-2-1-3-12(13(11)15)18-6-4-17(5-7-18)9-10(19)8-16/h1-3,10,19H,4-9,16H2
InChIKeyDBWHOEWSNNBMAC-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.43
Rot. Bonds4

About 1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol

1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 58358793) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID58358793
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
SMILESNCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O/c14-11-2-1-3-12(13(11)15)18-6-4-17(5-7-18)9-10(19)8-16/h1-3,10,19H,4-9,16H2
InChIKeyDBWHOEWSNNBMAC-UHFFFAOYSA-N
XLogP1.43
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851
1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 82297180
1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 82298497
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 25141537
2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol
CID 111105846
1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 42625491
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol (CID 58358793) is 1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol is NCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is DBWHOEWSNNBMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c14-11-2-1-3-12(13(11)15)18-6-4-17(5-7-18)9-10(19)8-16/h1-3,10,19H,4-9,16H2.
What are the key properties of 1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol?
1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 304.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 58358793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).