1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

C14H27ClN2 — CID 114188941

IUPAC1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CC(C)=CCl)C(C(C)C)CN1
InChIInChI=1S/C14H27ClN2/c1-6-14(5)10-17(9-12(4)7-15)13(8-16-14)11(2)3/h7,11,13,16H,6,8-10H2,1-5H3
InChIKeyBPPSVZIXFJMDRP-UHFFFAOYSA-N
MW258.84 g/mol
LogP3.23
Rot. Bonds4

About 1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 114188941) has the molecular formula C14H27ClN2 and a molecular weight of 258.84 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID114188941
Molecular FormulaC14H27ClN2
Molecular Weight258.84 g/mol
Exact Mass258.19
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CC(C)=CCl)C(C(C)C)CN1
InChIInChI=1S/C14H27ClN2/c1-6-14(5)10-17(9-12(4)7-15)13(8-16-14)11(2)3/h7,11,13,16H,6,8-10H2,1-5H3
InChIKeyBPPSVZIXFJMDRP-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine
CID 106440507
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
2-butan-2-yl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64847164
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine
CID 106440439
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008842
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
5-ethyl-5-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylpiperazine
CID 64933642
5-ethyl-5-methyl-1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64931235

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (CID 114188941) is 1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(CC(C)=CCl)C(C(C)C)CN1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is BPPSVZIXFJMDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2/c1-6-14(5)10-17(9-12(4)7-15)13(8-16-14)11(2)3/h7,11,13,16H,6,8-10H2,1-5H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 258.84 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 114188941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).