1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine

C12H23ClN2 — CID 106440351

IUPAC1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(CC(C)=CCl)C(C)CN1
InChIInChI=1S/C12H23ClN2/c1-4-5-12-9-15(8-10(2)6-13)11(3)7-14-12/h6,11-12,14H,4-5,7-9H2,1-3H3
InChIKeyDDNWXHGHLIJDQV-UHFFFAOYSA-N
MW230.78 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine

1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine (PubChem CID 106440351) has the molecular formula C12H23ClN2 and a molecular weight of 230.78 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine
PubChem CID106440351
Molecular FormulaC12H23ClN2
Molecular Weight230.78 g/mol
Exact Mass230.15
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(CC(C)=CCl)C(C)CN1
InChIInChI=1S/C12H23ClN2/c1-4-5-12-9-15(8-10(2)6-13)11(3)7-14-12/h6,11-12,14H,4-5,7-9H2,1-3H3
InChIKeyDDNWXHGHLIJDQV-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine
CID 106439468
1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80697266
1-(2-ethylbutyl)-2-methyl-5-propylpiperazine
CID 82923566
1-(2-methoxyethyl)-2-methyl-5-propylpiperazine
CID 64846555
2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64846379
2-methyl-1-[(1-methylcyclopentyl)methyl]-5-propylpiperazine
CID 64942183
1-(2-butoxyethyl)-2-methyl-5-propylpiperazine
CID 64846186
2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine
CID 79549772
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-7-methyl-1,4-diazepane
CID 106440584
2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
CID 107901441
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine
CID 64846938
2-methyl-1-(oxolan-3-ylmethyl)-5-propylpiperazine
CID 64846758

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine (CID 106440351) is 1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine is CCCC1CN(CC(C)=CCl)C(C)CN1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine?
The InChIKey is DDNWXHGHLIJDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2/c1-4-5-12-9-15(8-10(2)6-13)11(3)7-14-12/h6,11-12,14H,4-5,7-9H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine?
1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine has a molecular weight of 230.78 g/mol, XLogP of 2.59, 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)-2-methyl-5-propylpiperazine is sourced from PubChem (CID 106440351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).