1-but-3-enyl-4-methylpiperazine

C9H18N2 — CID 20649684

IUPAC1-but-3-enyl-4-methylpiperazine
SMILESC=CCCN1CCN(C)CC1
InChIInChI=1S/C9H18N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3H,1,4-9H2,2H3
InChIKeyFNAYKQQITUBKFI-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.81
Rot. Bonds3

About 1-but-3-enyl-4-methylpiperazine

1-but-3-enyl-4-methylpiperazine (PubChem CID 20649684) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-but-3-enyl-4-methylpiperazine.

Molecular Properties

Compound Name1-but-3-enyl-4-methylpiperazine
PubChem CID20649684
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-but-3-enyl-4-methylpiperazine
SMILESC=CCCN1CCN(C)CC1
InChIInChI=1S/C9H18N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3H,1,4-9H2,2H3
InChIKeyFNAYKQQITUBKFI-UHFFFAOYSA-N
XLogP0.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enyl-4-methylpiperidine
CID 88972276
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-but-3-enyl-4-methylpiperidin-4-amine
CID 130878707
(2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine
CID 129043221
1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 162736650
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
1-(2-iodoethyl)-4-methylpiperazine
CID 67574455
trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide
CID 124705695
1-but-3-enyl-4-piperidin-1-ylpiperidine
CID 142831237
1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine
CID 91548753
1-(2-ethenylbut-2-enyl)-4-methylpiperazine
CID 123509930
6-(4-methylpiperazin-1-yl)hexanal
CID 19781527

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-methylpiperazine?
The IUPAC name of 1-but-3-enyl-4-methylpiperazine (CID 20649684) is 1-but-3-enyl-4-methylpiperazine.
What is the SMILES notation for 1-but-3-enyl-4-methylpiperazine?
The canonical SMILES for 1-but-3-enyl-4-methylpiperazine is C=CCCN1CCN(C)CC1.
What is the InChIKey of 1-but-3-enyl-4-methylpiperazine?
The InChIKey is FNAYKQQITUBKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3H,1,4-9H2,2H3.
What are the key properties of 1-but-3-enyl-4-methylpiperazine?
1-but-3-enyl-4-methylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-methylpiperazine is sourced from PubChem (CID 20649684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).