1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C16H25ClN2O — CID 107623424

IUPAC1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOc1cc(N2CC(C)(C)NCC2C(C)C)ccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-11(2)14-9-18-16(3,4)10-19(14)12-6-7-13(17)15(8-12)20-5/h6-8,11,14,18H,9-10H2,1-5H3
InChIKeyZRVPEYUYSXVDOZ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.56
Rot. Bonds3

About 1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 107623424) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID107623424
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOc1cc(N2CC(C)(C)NCC2C(C)C)ccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-11(2)14-9-18-16(3,4)10-19(14)12-6-7-13(17)15(8-12)20-5/h6-8,11,14,18H,9-10H2,1-5H3
InChIKeyZRVPEYUYSXVDOZ-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 107623424) is 1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is COc1cc(N2CC(C)(C)NCC2C(C)C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is ZRVPEYUYSXVDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11(2)14-9-18-16(3,4)10-19(14)12-6-7-13(17)15(8-12)20-5/h6-8,11,14,18H,9-10H2,1-5H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 296.84 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 107623424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).