1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine

C14H20Cl2N2 — CID 64925460

IUPAC1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C14H20Cl2N2/c1-10(2)7-12-9-18(6-5-17-12)14-8-11(15)3-4-13(14)16/h3-4,8,10,12,17H,5-7,9H2,1-2H3
InChIKeyPNFHZMXLUSDJDP-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.82
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine

1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine (PubChem CID 64925460) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine
PubChem CID64925460
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C14H20Cl2N2/c1-10(2)7-12-9-18(6-5-17-12)14-8-11(15)3-4-13(14)16/h3-4,8,10,12,17H,5-7,9H2,1-2H3
InChIKeyPNFHZMXLUSDJDP-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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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64923715
3-benzyl-1-(2,5-dichlorophenyl)piperazine
CID 64925458
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine
CID 64923704
1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
CID 64924018
1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine
CID 81271640
3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine
CID 64923787
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64953125
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944342
1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64952586
1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64923992
3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine
CID 79043174
(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine
CID 24763526

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine (CID 64925460) is 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine is CC(C)CC1CN(c2cc(Cl)ccc2Cl)CCN1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is PNFHZMXLUSDJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-10(2)7-12-9-18(6-5-17-12)14-8-11(15)3-4-13(14)16/h3-4,8,10,12,17H,5-7,9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine?
1-(2,5-dichlorophenyl)-3-(2-methylpropyl)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 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 64925460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).