3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine

C14H20Cl2N2 — CID 64926057

IUPAC3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine
SMILESCCC(C)C1CN(c2cc(Cl)cc(Cl)c2)CCN1
InChIInChI=1S/C14H20Cl2N2/c1-3-10(2)14-9-18(5-4-17-14)13-7-11(15)6-12(16)8-13/h6-8,10,14,17H,3-5,9H2,1-2H3
InChIKeyQCAOIQYOIVHXHF-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.82
Rot. Bonds3

About 3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine

3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine (PubChem CID 64926057) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine
PubChem CID64926057
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine
SMILESCCC(C)C1CN(c2cc(Cl)cc(Cl)c2)CCN1
InChIInChI=1S/C14H20Cl2N2/c1-3-10(2)14-9-18(5-4-17-14)13-7-11(15)6-12(16)8-13/h6-8,10,14,17H,3-5,9H2,1-2H3
InChIKeyQCAOIQYOIVHXHF-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine (CID 64926057) is 3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine is CCC(C)C1CN(c2cc(Cl)cc(Cl)c2)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine?
The InChIKey is QCAOIQYOIVHXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-3-10(2)14-9-18(5-4-17-14)13-7-11(15)6-12(16)8-13/h6-8,10,14,17H,3-5,9H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine?
3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine has a molecular weight of 287.23 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine is sourced from PubChem (CID 64926057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).