2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine

C17H27ClN2 — CID 64842906

IUPAC2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
SMILESCCC1CN(Cc2cccc(Cl)c2)C(C(C)CC)CN1
InChIInChI=1S/C17H27ClN2/c1-4-13(3)17-10-19-16(5-2)12-20(17)11-14-7-6-8-15(18)9-14/h6-9,13,16-17,19H,4-5,10-12H2,1-3H3
InChIKeyCUSFQGNZMPNZHD-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.94
Rot. Bonds5

About 2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine

2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine (PubChem CID 64842906) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
PubChem CID64842906
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
SMILESCCC1CN(Cc2cccc(Cl)c2)C(C(C)CC)CN1
InChIInChI=1S/C17H27ClN2/c1-4-13(3)17-10-19-16(5-2)12-20(17)11-14-7-6-8-15(18)9-14/h6-9,13,16-17,19H,4-5,10-12H2,1-3H3
InChIKeyCUSFQGNZMPNZHD-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
CID 64841549
2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
CID 64843293
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64846770
1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine
CID 64841935
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine
CID 64842129
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463
2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine
CID 64862227

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine?
The IUPAC name of 2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine (CID 64842906) is 2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine is CCC1CN(Cc2cccc(Cl)c2)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine?
The InChIKey is CUSFQGNZMPNZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-13(3)17-10-19-16(5-2)12-20(17)11-14-7-6-8-15(18)9-14/h6-9,13,16-17,19H,4-5,10-12H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine?
2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine has a molecular weight of 294.87 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine is sourced from PubChem (CID 64842906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).