1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine

C16H25ClN2O2 — CID 64938665

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCOc1cc(N2CC(C(C)C)NCC2C)c(OC)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-10(2)13-9-19(11(3)8-18-13)14-7-15(20-4)12(17)6-16(14)21-5/h6-7,10-11,13,18H,8-9H2,1-5H3
InChIKeyYWKAWAAVMODQOX-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine

1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine (PubChem CID 64938665) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
PubChem CID64938665
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCOc1cc(N2CC(C(C)C)NCC2C)c(OC)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-10(2)13-9-19(11(3)8-18-13)14-7-15(20-4)12(17)6-16(14)21-5/h6-7,10-11,13,18H,8-9H2,1-5H3
InChIKeyYWKAWAAVMODQOX-UHFFFAOYSA-N
XLogP3.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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)-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine (CID 64938665) is 1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine is COc1cc(N2CC(C(C)C)NCC2C)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is YWKAWAAVMODQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-10(2)13-9-19(11(3)8-18-13)14-7-15(20-4)12(17)6-16(14)21-5/h6-7,10-11,13,18H,8-9H2,1-5H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine?
1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 312.84 g/mol, XLogP of 3.18, 4 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)-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64938665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).