1-methyl-4-[(E)-pent-2-en-2-yl]piperazine

C10H20N2 — CID 139449171

IUPAC1-methyl-4-[(E)-pent-2-en-2-yl]piperazine
SMILESCC/C=C(\C)N1CCN(C)CC1
InChIInChI=1S/C10H20N2/c1-4-5-10(2)12-8-6-11(3)7-9-12/h5H,4,6-9H2,1-3H3/b10-5+
InChIKeyJDBLZECIXVARSI-BJMVGYQFSA-N
MW168.28 g/mol
LogP1.55
Rot. Bonds2

About 1-methyl-4-[(E)-pent-2-en-2-yl]piperazine

1-methyl-4-[(E)-pent-2-en-2-yl]piperazine (PubChem CID 139449171) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methyl-4-[(E)-pent-2-en-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(E)-pent-2-en-2-yl]piperazine
PubChem CID139449171
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-methyl-4-[(E)-pent-2-en-2-yl]piperazine
SMILESCC/C=C(\C)N1CCN(C)CC1
InChIInChI=1S/C10H20N2/c1-4-5-10(2)12-8-6-11(3)7-9-12/h5H,4,6-9H2,1-3H3/b10-5+
InChIKeyJDBLZECIXVARSI-BJMVGYQFSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142099573
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
1-(6-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
CID 142226978
1-[(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-3-yl]-4-methylpiperazine
CID 143483055
1-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)piperazine
CID 3715231
1-(1-Cyclohexen-1-yl)-4-methylpiperazine
CID 15363494
1-(Cyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 15665733
1-(Cyclopenten-1-yl)-4-methylpiperazine
CID 15363491
1-Ethyl-4-prop-1-en-2-ylpiperazine
CID 20829762
1-Methyl-4-prop-1-en-2-ylpiperazine
CID 21366497
1-Cyclohexa-1,5-dien-1-yl-4-methylpiperazine
CID 21950702
2-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
CID 58926851

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-pent-2-en-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[(E)-pent-2-en-2-yl]piperazine (CID 139449171) is 1-methyl-4-[(E)-pent-2-en-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[(E)-pent-2-en-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[(E)-pent-2-en-2-yl]piperazine is CC/C=C(\C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(E)-pent-2-en-2-yl]piperazine?
The InChIKey is JDBLZECIXVARSI-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-10(2)12-8-6-11(3)7-9-12/h5H,4,6-9H2,1-3H3/b10-5+.
What are the key properties of 1-methyl-4-[(E)-pent-2-en-2-yl]piperazine?
1-methyl-4-[(E)-pent-2-en-2-yl]piperazine has a molecular weight of 168.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-pent-2-en-2-yl]piperazine is sourced from PubChem (CID 139449171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).