1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine

C16H25ClN2O2 — CID 64923704

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine
SMILESCOc1cc(N2CCNC(CC(C)C)C2)c(OC)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-11(2)7-12-10-19(6-5-18-12)14-9-15(20-3)13(17)8-16(14)21-4/h8-9,11-12,18H,5-7,10H2,1-4H3
InChIKeyDNLNFMIUFHIBJH-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.18
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine

1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine (PubChem CID 64923704) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine
PubChem CID64923704
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine
SMILESCOc1cc(N2CCNC(CC(C)C)C2)c(OC)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-11(2)7-12-10-19(6-5-18-12)14-9-15(20-3)13(17)8-16(14)21-4/h8-9,11-12,18H,5-7,10H2,1-4H3
InChIKeyDNLNFMIUFHIBJH-UHFFFAOYSA-N
XLogP3.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine (CID 64923704) is 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine is COc1cc(N2CCNC(CC(C)C)C2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is DNLNFMIUFHIBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-11(2)7-12-10-19(6-5-18-12)14-9-15(20-3)13(17)8-16(14)21-4/h8-9,11-12,18H,5-7,10H2,1-4H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine?
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine has a molecular weight of 312.84 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 64923704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).