1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine

C9H17ClN2 — CID 90463823

IUPAC1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine
SMILESC/C(Cl)=C/CN1CCN(C)CC1
InChIInChI=1S/C9H17ClN2/c1-9(10)3-4-12-7-5-11(2)6-8-12/h3H,4-8H2,1-2H3/b9-3-
InChIKeyWUVRUWIYZIUVRN-OQFOIZHKSA-N
MW188.70 g/mol
LogP1.38
Rot. Bonds2

About 1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine

1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine (PubChem CID 90463823) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine
PubChem CID90463823
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine
SMILESC/C(Cl)=C/CN1CCN(C)CC1
InChIInChI=1S/C9H17ClN2/c1-9(10)3-4-12-7-5-11(2)6-8-12/h3H,4-8H2,1-2H3/b9-3-
InChIKeyWUVRUWIYZIUVRN-OQFOIZHKSA-N
XLogP1.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine?
The IUPAC name of 1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine (CID 90463823) is 1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine?
The canonical SMILES for 1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine is C/C(Cl)=C/CN1CCN(C)CC1.
What is the InChIKey of 1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine?
The InChIKey is WUVRUWIYZIUVRN-OQFOIZHKSA-N. The full InChI is InChI=1S/C9H17ClN2/c1-9(10)3-4-12-7-5-11(2)6-8-12/h3H,4-8H2,1-2H3/b9-3-.
What are the key properties of 1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine?
1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine has a molecular weight of 188.70 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine is sourced from PubChem (CID 90463823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).