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

C16H29ClN2 — CID 106440507

IUPAC2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine
SMILESCCC(C)C1CNC(C)(C2CC2)CN1CC(C)=CCl
InChIInChI=1S/C16H29ClN2/c1-5-13(3)15-9-18-16(4,14-6-7-14)11-19(15)10-12(2)8-17/h8,13-15,18H,5-7,9-11H2,1-4H3
InChIKeyORKXXZJCTWNUGK-UHFFFAOYSA-N
MW284.87 g/mol
LogP3.62
Rot. Bonds5

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

2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine (PubChem CID 106440507) has the molecular formula C16H29ClN2 and a molecular weight of 284.87 g/mol. Its IUPAC name is 2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine
PubChem CID106440507
Molecular FormulaC16H29ClN2
Molecular Weight284.87 g/mol
Exact Mass284.20
IUPAC Name2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine
SMILESCCC(C)C1CNC(C)(C2CC2)CN1CC(C)=CCl
InChIInChI=1S/C16H29ClN2/c1-5-13(3)15-9-18-16(4,14-6-7-14)11-19(15)10-12(2)8-17/h8,13-15,18H,5-7,9-11H2,1-4H3
InChIKeyORKXXZJCTWNUGK-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.87
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 114188949
2-butan-2-yl-5-cyclopropyl-5-methyl-1-propylpiperazine
CID 64876547
1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 114188941
2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64877873
2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine
CID 107056008
5-cyclopropyl-1-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64876945
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine
CID 106440439
5-cyclopropyl-5-methyl-1-(2-methylpentan-3-yl)-2-propan-2-ylpiperazine
CID 64946234
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-7-methyl-1,4-diazepane
CID 106440584
5-cyclopropyl-2-ethyl-5-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64875953
2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901804
2-butan-2-yl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64847164

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine?
The IUPAC name of 2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine (CID 106440507) is 2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine is CCC(C)C1CNC(C)(C2CC2)CN1CC(C)=CCl.
What is the InChIKey of 2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine?
The InChIKey is ORKXXZJCTWNUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN2/c1-5-13(3)15-9-18-16(4,14-6-7-14)11-19(15)10-12(2)8-17/h8,13-15,18H,5-7,9-11H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine?
2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine has a molecular weight of 284.87 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 2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine is sourced from PubChem (CID 106440507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).