1-methyl-4-pent-3-en-2-ylpiperazine

C10H20N2 — CID 90782198

IUPAC1-methyl-4-pent-3-en-2-ylpiperazine
SMILESCC=CC(C)N1CCN(C)CC1
InChIInChI=1S/C10H20N2/c1-4-5-10(2)12-8-6-11(3)7-9-12/h4-5,10H,6-9H2,1-3H3
InChIKeyWUNLAPSDKRSXKQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.20
Rot. Bonds2

About 1-methyl-4-pent-3-en-2-ylpiperazine

1-methyl-4-pent-3-en-2-ylpiperazine (PubChem CID 90782198) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methyl-4-pent-3-en-2-ylpiperazine.

Molecular Properties

Compound Name1-methyl-4-pent-3-en-2-ylpiperazine
PubChem CID90782198
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-methyl-4-pent-3-en-2-ylpiperazine
SMILESCC=CC(C)N1CCN(C)CC1
InChIInChI=1S/C10H20N2/c1-4-5-10(2)12-8-6-11(3)7-9-12/h4-5,10H,6-9H2,1-3H3
InChIKeyWUNLAPSDKRSXKQ-UHFFFAOYSA-N
XLogP1.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.20
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

2-Methyl-1,4-bis(prop-2-enyl)piperazine
CID 517346
1-(2-Fluoronona-3,6-dien-5-yl)piperazine
CID 123142512
1-(4-Fluorocyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 129209135
1-ethyl-4-[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]piperazine
CID 144192284
1-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]-4-propan-2-ylpiperazine
CID 170709328
1-(1-Fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine
CID 173103515
1-Propan-2-yl-4-prop-2-enylpiperazine
CID 20613816
1-Butan-2-yl-4-prop-2-enylpiperazine
CID 166800367
(2R,5S)-2,5-Dimethyl-1,4-di(prop-2-en-1-yl)piperazine
CID 29977824
(E)-1-N,1-N,4-N,4-N-tetramethylpent-2-ene-1,4-diamine
CID 134994560
trimethyl-[(E)-4-(trimethylazaniumyl)pent-2-enyl]azanium
CID 5744779
(E)-N,N-diethylpent-3-en-2-amine
CID 13003598

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pent-3-en-2-ylpiperazine?
The IUPAC name of 1-methyl-4-pent-3-en-2-ylpiperazine (CID 90782198) is 1-methyl-4-pent-3-en-2-ylpiperazine.
What is the SMILES notation for 1-methyl-4-pent-3-en-2-ylpiperazine?
The canonical SMILES for 1-methyl-4-pent-3-en-2-ylpiperazine is CC=CC(C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-pent-3-en-2-ylpiperazine?
The InChIKey is WUNLAPSDKRSXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-10(2)12-8-6-11(3)7-9-12/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-methyl-4-pent-3-en-2-ylpiperazine?
1-methyl-4-pent-3-en-2-ylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pent-3-en-2-ylpiperazine is sourced from PubChem (CID 90782198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).