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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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64923992
1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine
CID 64924290
1-(2,5-dichlorophenyl)-3-(2-methylpropyl)piperazine
CID 64925460
1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64952586
1-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64945227
(3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine
CID 58188990
1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513534
1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64923715
methyl 2-[3-(2-methylpropyl)piperazin-1-yl]benzoate
CID 75088513
3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine
CID 64923787
1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
CID 117002859
[4-(3-chloro-4-methoxyphenyl)piperazin-2-yl]methanamine
CID 117026857

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).