1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine

C14H27ClN4 — CID 18547065

IUPAC1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine
SMILESCC(C)=C(CN1CCNC1Cl)C(C)N1CCNCC1
InChIInChI=1S/C14H27ClN4/c1-11(2)13(10-19-9-6-17-14(19)15)12(3)18-7-4-16-5-8-18/h12,14,16-17H,4-10H2,1-3H3
InChIKeyVLBXAGUGWACSCS-UHFFFAOYSA-N
MW286.85 g/mol
LogP1.04
Rot. Bonds4

About 1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine

1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine (PubChem CID 18547065) has the molecular formula C14H27ClN4 and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine
PubChem CID18547065
Molecular FormulaC14H27ClN4
Molecular Weight286.85 g/mol
Exact Mass286.19
IUPAC Name1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine
SMILESCC(C)=C(CN1CCNC1Cl)C(C)N1CCNCC1
InChIInChI=1S/C14H27ClN4/c1-11(2)13(10-19-9-6-17-14(19)15)12(3)18-7-4-16-5-8-18/h12,14,16-17H,4-10H2,1-3H3
InChIKeyVLBXAGUGWACSCS-UHFFFAOYSA-N
XLogP1.04
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine?
The IUPAC name of 1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine (CID 18547065) is 1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine is CC(C)=C(CN1CCNC1Cl)C(C)N1CCNCC1.
What is the InChIKey of 1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine?
The InChIKey is VLBXAGUGWACSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN4/c1-11(2)13(10-19-9-6-17-14(19)15)12(3)18-7-4-16-5-8-18/h12,14,16-17H,4-10H2,1-3H3.
What are the key properties of 1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine?
1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine has a molecular weight of 286.85 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chloroimidazolidin-1-yl)methyl]-4-methylpent-3-en-2-yl]piperazine is sourced from PubChem (CID 18547065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).