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

C17H31ClN2 — CID 106440554

IUPAC1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine
SMILESCCC1(C)CNC(C2CCCCC2)CN1CC(C)=CCl
InChIInChI=1S/C17H31ClN2/c1-4-17(3)13-19-16(15-8-6-5-7-9-15)12-20(17)11-14(2)10-18/h10,15-16,19H,4-9,11-13H2,1-3H3
InChIKeyRLYQGGMAPFTUHA-UHFFFAOYSA-N
MW298.90 g/mol
LogP4.15
Rot. Bonds4

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

1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine (PubChem CID 106440554) has the molecular formula C17H31ClN2 and a molecular weight of 298.90 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine
PubChem CID106440554
Molecular FormulaC17H31ClN2
Molecular Weight298.90 g/mol
Exact Mass298.22
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine
SMILESCCC1(C)CNC(C2CCCCC2)CN1CC(C)=CCl
InChIInChI=1S/C17H31ClN2/c1-4-17(3)13-19-16(15-8-6-5-7-9-15)12-20(17)11-14(2)10-18/h10,15-16,19H,4-9,11-13H2,1-3H3
InChIKeyRLYQGGMAPFTUHA-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.90
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine
CID 106440446
5-cyclohexyl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64861356
5-cyclopropyl-2-ethyl-2-methyl-1-propylpiperazine
CID 64862262
5-cyclohexyl-2-ethyl-2-methyl-1-propan-2-ylpiperazine
CID 64861352
5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64860145
1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine
CID 106440342
1-butyl-5-cyclohexyl-2,2-dimethylpiperazine
CID 64861711
5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491173
5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine
CID 113474592
5-cyclopropyl-2-ethyl-2-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64862073
1-butyl-5-cyclohexyl-2,2-diethylpiperazine
CID 64861362
5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64859759

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine (CID 106440554) is 1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine is CCC1(C)CNC(C2CCCCC2)CN1CC(C)=CCl.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine?
The InChIKey is RLYQGGMAPFTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31ClN2/c1-4-17(3)13-19-16(15-8-6-5-7-9-15)12-20(17)11-14(2)10-18/h10,15-16,19H,4-9,11-13H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine?
1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine has a molecular weight of 298.90 g/mol, XLogP of 4.15, 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-cyclohexyl-2-ethyl-2-methylpiperazine is sourced from PubChem (CID 106440554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).