5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine

C15H29ClN2 — CID 106440446

IUPAC5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine
SMILESCCC(C)C1CN(CC(C)=CCl)C(C)(CC)CN1
InChIInChI=1S/C15H29ClN2/c1-6-13(4)14-10-18(9-12(3)8-16)15(5,7-2)11-17-14/h8,13-14,17H,6-7,9-11H2,1-5H3
InChIKeyMQKKNIHYVNFIBO-UHFFFAOYSA-N
MW272.86 g/mol
LogP3.62
Rot. Bonds5

About 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine

5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine (PubChem CID 106440446) has the molecular formula C15H29ClN2 and a molecular weight of 272.86 g/mol. Its IUPAC name is 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine
PubChem CID106440446
Molecular FormulaC15H29ClN2
Molecular Weight272.86 g/mol
Exact Mass272.20
IUPAC Name5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine
SMILESCCC(C)C1CN(CC(C)=CCl)C(C)(CC)CN1
InChIInChI=1S/C15H29ClN2/c1-6-13(4)14-10-18(9-12(3)8-16)15(5,7-2)11-17-14/h8,13-14,17H,6-7,9-11H2,1-5H3
InChIKeyMQKKNIHYVNFIBO-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-ethyl-2-methyl-1-propylpiperazine
CID 64847681
5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64848260
5-butan-2-yl-1-(cyclopropylmethyl)-2-ethyl-2-methylpiperazine
CID 64849416
1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine
CID 106440554
5-butan-2-yl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65462478
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine
CID 106440439
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 107901484
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-7-methyl-1,4-diazepane
CID 106440584
5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64849613
5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64847296
1-[(5-bromo-2-pyridinyl)methyl]-5-butan-2-yl-2-ethyl-2-methylpiperazine
CID 104812499
1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine
CID 106440342

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine (CID 106440446) is 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine is CCC(C)C1CN(CC(C)=CCl)C(C)(CC)CN1.
What is the InChIKey of 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine?
The InChIKey is MQKKNIHYVNFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClN2/c1-6-13(4)14-10-18(9-12(3)8-16)15(5,7-2)11-17-14/h8,13-14,17H,6-7,9-11H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine?
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine has a molecular weight of 272.86 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine is sourced from PubChem (CID 106440446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).