1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine

C17H27ClN2O — CID 103293533

IUPAC1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1Cc1c(Cl)cccc1OC
InChIInChI=1S/C17H27ClN2O/c1-5-13-9-19-16(12(2)3)11-20(13)10-14-15(18)7-6-8-17(14)21-4/h6-8,12-13,16,19H,5,9-11H2,1-4H3
InChIKeySISXTELILFDKGU-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.56
Rot. Bonds5

About 1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine

1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine (PubChem CID 103293533) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine
PubChem CID103293533
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1Cc1c(Cl)cccc1OC
InChIInChI=1S/C17H27ClN2O/c1-5-13-9-19-16(12(2)3)11-20(13)10-14-15(18)7-6-8-17(14)21-4/h6-8,12-13,16,19H,5,9-11H2,1-4H3
InChIKeySISXTELILFDKGU-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64831533
1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 66255306
5-tert-butyl-1-[(2-chloro-6-methoxyphenyl)methyl]-2-methylpiperazine
CID 103293535
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
CID 64831744
5-[(2-chloro-6-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115884014
5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine
CID 102620685
1,2-dibenzyl-5-propan-2-ylpiperazine
CID 64838668
2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine
CID 64938382
2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine
CID 114702053
2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937339
1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64831754

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine (CID 103293533) is 1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1Cc1c(Cl)cccc1OC.
What is the InChIKey of 1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine?
The InChIKey is SISXTELILFDKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-5-13-9-19-16(12(2)3)11-20(13)10-14-15(18)7-6-8-17(14)21-4/h6-8,12-13,16,19H,5,9-11H2,1-4H3.
What are the key properties of 1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine?
1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine has a molecular weight of 310.87 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 103293533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).