1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine

C13H25ClN2 — CID 106440342

IUPAC1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine
SMILESCCC1(CC)CNC(C)CN1CC(C)=CCl
InChIInChI=1S/C13H25ClN2/c1-5-13(6-2)10-15-12(4)9-16(13)8-11(3)7-14/h7,12,15H,5-6,8-10H2,1-4H3
InChIKeyZWEQJSQLKXHGEX-UHFFFAOYSA-N
MW244.81 g/mol
LogP2.98
Rot. Bonds4

About 1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine

1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine (PubChem CID 106440342) has the molecular formula C13H25ClN2 and a molecular weight of 244.81 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine
PubChem CID106440342
Molecular FormulaC13H25ClN2
Molecular Weight244.81 g/mol
Exact Mass244.17
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine
SMILESCCC1(CC)CNC(C)CN1CC(C)=CCl
InChIInChI=1S/C13H25ClN2/c1-5-13(6-2)10-15-12(4)9-16(13)8-11(3)7-14/h7,12,15H,5-6,8-10H2,1-4H3
InChIKeyZWEQJSQLKXHGEX-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine (CID 106440342) is 1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine is CCC1(CC)CNC(C)CN1CC(C)=CCl.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine?
The InChIKey is ZWEQJSQLKXHGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2/c1-5-13(6-2)10-15-12(4)9-16(13)8-11(3)7-14/h7,12,15H,5-6,8-10H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine?
1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine has a molecular weight of 244.81 g/mol, XLogP of 2.98, 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)-2,2-diethyl-5-methylpiperazine is sourced from PubChem (CID 106440342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).