1-[(E)-pent-2-enyl]piperazine;prop-1-ene

C12H24N2 — CID 143787037

IUPAC1-[(E)-pent-2-enyl]piperazine;prop-1-ene
SMILESC=CC.CC/C=C/CN1CCNCC1
InChIInChI=1S/C9H18N2.C3H6/c1-2-3-4-7-11-8-5-10-6-9-11;1-3-2/h3-4,10H,2,5-9H2,1H3;3H,1H2,2H3/b4-3+;
InChIKeyXGTSSAFNUASLBL-BJILWQEISA-N
MW196.34 g/mol
LogP2.05
Rot. Bonds3

About 1-[(E)-pent-2-enyl]piperazine;prop-1-ene

1-[(E)-pent-2-enyl]piperazine;prop-1-ene (PubChem CID 143787037) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[(E)-pent-2-enyl]piperazine;prop-1-ene.

Molecular Properties

Compound Name1-[(E)-pent-2-enyl]piperazine;prop-1-ene
PubChem CID143787037
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[(E)-pent-2-enyl]piperazine;prop-1-ene
SMILESC=CC.CC/C=C/CN1CCNCC1
InChIInChI=1S/C9H18N2.C3H6/c1-2-3-4-7-11-8-5-10-6-9-11;1-3-2/h3-4,10H,2,5-9H2,1H3;3H,1H2,2H3/b4-3+;
InChIKeyXGTSSAFNUASLBL-BJILWQEISA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6445849
1-[2-(Diallylamino)-ethyl]-piperazine
CID 2735924
1-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)piperazine
CID 3039323
Geranylpiperazine
CID 14497703
1-(3,7-Dimethylocta-2,6-dienyl)piperazine
CID 53785157
1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
CID 90110608
1-(2-Fluoronona-3,6-dien-5-yl)piperazine
CID 123142512
1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine
CID 143848920
1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine
CID 167210269
1-(5,5,5-Trifluoro-3-methylpent-2-enyl)piperazine
CID 173538053
(2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine
CID 134925876
(2R,3R)-2,3-bis[(E)-pent-1-enyl]piperazine
CID 134994082

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-2-enyl]piperazine;prop-1-ene?
The IUPAC name of 1-[(E)-pent-2-enyl]piperazine;prop-1-ene (CID 143787037) is 1-[(E)-pent-2-enyl]piperazine;prop-1-ene.
What is the SMILES notation for 1-[(E)-pent-2-enyl]piperazine;prop-1-ene?
The canonical SMILES for 1-[(E)-pent-2-enyl]piperazine;prop-1-ene is C=CC.CC/C=C/CN1CCNCC1.
What is the InChIKey of 1-[(E)-pent-2-enyl]piperazine;prop-1-ene?
The InChIKey is XGTSSAFNUASLBL-BJILWQEISA-N. The full InChI is InChI=1S/C9H18N2.C3H6/c1-2-3-4-7-11-8-5-10-6-9-11;1-3-2/h3-4,10H,2,5-9H2,1H3;3H,1H2,2H3/b4-3+;.
What are the key properties of 1-[(E)-pent-2-enyl]piperazine;prop-1-ene?
1-[(E)-pent-2-enyl]piperazine;prop-1-ene has a molecular weight of 196.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-2-enyl]piperazine;prop-1-ene is sourced from PubChem (CID 143787037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).