1-(2-chloroprop-2-enyl)-4-methylpiperazine

C8H15ClN2 — CID 56687378

IUPAC1-(2-chloroprop-2-enyl)-4-methylpiperazine
SMILESC=C(Cl)CN1CCN(C)CC1
InChIInChI=1S/C8H15ClN2/c1-8(9)7-11-5-3-10(2)4-6-11/h1,3-7H2,2H3
InChIKeyBPSISKLYTULHFR-UHFFFAOYSA-N
MW174.67 g/mol
LogP0.99
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)-4-methylpiperazine

1-(2-chloroprop-2-enyl)-4-methylpiperazine (PubChem CID 56687378) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-4-methylpiperazine
PubChem CID56687378
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name1-(2-chloroprop-2-enyl)-4-methylpiperazine
SMILESC=C(Cl)CN1CCN(C)CC1
InChIInChI=1S/C8H15ClN2/c1-8(9)7-11-5-3-10(2)4-6-11/h1,3-7H2,2H3
InChIKeyBPSISKLYTULHFR-UHFFFAOYSA-N
XLogP0.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-4-methylpiperazine?
The IUPAC name of 1-(2-chloroprop-2-enyl)-4-methylpiperazine (CID 56687378) is 1-(2-chloroprop-2-enyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-4-methylpiperazine is C=C(Cl)CN1CCN(C)CC1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-4-methylpiperazine?
The InChIKey is BPSISKLYTULHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2/c1-8(9)7-11-5-3-10(2)4-6-11/h1,3-7H2,2H3.
What are the key properties of 1-(2-chloroprop-2-enyl)-4-methylpiperazine?
1-(2-chloroprop-2-enyl)-4-methylpiperazine has a molecular weight of 174.67 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-4-methylpiperazine is sourced from PubChem (CID 56687378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).