1-(2-chloroethyl)-4-prop-2-enylpiperazine

C9H17ClN2 — CID 2756301

IUPAC1-(2-chloroethyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCCl)CC1
InChIInChI=1S/C9H17ClN2/c1-2-4-11-6-8-12(5-3-10)9-7-11/h2H,1,3-9H2
InChIKeyKGGYYMJKHBIYEO-UHFFFAOYSA-N
MW188.70 g/mol
LogP1.03
Rot. Bonds4

About 1-(2-chloroethyl)-4-prop-2-enylpiperazine

1-(2-chloroethyl)-4-prop-2-enylpiperazine (PubChem CID 2756301) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-prop-2-enylpiperazine
PubChem CID2756301
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name1-(2-chloroethyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCCl)CC1
InChIInChI=1S/C9H17ClN2/c1-2-4-11-6-8-12(5-3-10)9-7-11/h2H,1,3-9H2
InChIKeyKGGYYMJKHBIYEO-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-prop-2-enylpiperazine?
The IUPAC name of 1-(2-chloroethyl)-4-prop-2-enylpiperazine (CID 2756301) is 1-(2-chloroethyl)-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-(2-chloroethyl)-4-prop-2-enylpiperazine?
The canonical SMILES for 1-(2-chloroethyl)-4-prop-2-enylpiperazine is C=CCN1CCN(CCCl)CC1.
What is the InChIKey of 1-(2-chloroethyl)-4-prop-2-enylpiperazine?
The InChIKey is KGGYYMJKHBIYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2/c1-2-4-11-6-8-12(5-3-10)9-7-11/h2H,1,3-9H2.
What are the key properties of 1-(2-chloroethyl)-4-prop-2-enylpiperazine?
1-(2-chloroethyl)-4-prop-2-enylpiperazine has a molecular weight of 188.70 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-prop-2-enylpiperazine is sourced from PubChem (CID 2756301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).