1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

C17H27ClN2O — CID 64935637

IUPAC1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(c2cc(Cl)ccc2OC)C(C(C)C)CN1
InChIInChI=1S/C17H27ClN2O/c1-6-17(4)11-20(15(10-19-17)12(2)3)14-9-13(18)7-8-16(14)21-5/h7-9,12,15,19H,6,10-11H2,1-5H3
InChIKeyQZVWKHLIWIXISO-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.95
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64935637) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID64935637
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(c2cc(Cl)ccc2OC)C(C(C)C)CN1
InChIInChI=1S/C17H27ClN2O/c1-6-17(4)11-20(15(10-19-17)12(2)3)14-9-13(18)7-8-16(14)21-5/h7-9,12,15,19H,6,10-11H2,1-5H3
InChIKeyQZVWKHLIWIXISO-UHFFFAOYSA-N
XLogP3.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64933858
1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64934684
1-(2-bromo-3-chlorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 103481721
1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64946846
1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64933605
1-(2,5-dichlorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64935058
1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 107603929
5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine
CID 64931976
1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine
CID 107640012
1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107623424
5-ethyl-1-(4-methoxybutan-2-yl)-5-methyl-2-propan-2-ylpiperazine
CID 64939357
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64937512

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (CID 64935637) is 1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(c2cc(Cl)ccc2OC)C(C(C)C)CN1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is QZVWKHLIWIXISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-6-17(4)11-20(15(10-19-17)12(2)3)14-9-13(18)7-8-16(14)21-5/h7-9,12,15,19H,6,10-11H2,1-5H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 310.87 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64935637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).