N-(1-piperazin-1-ylprop-1-enyl)methanimine

C8H15N3 — CID 91155840

IUPACN-(1-piperazin-1-ylprop-1-enyl)methanimine
SMILESC=NC(=CC)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-3-8(9-2)11-6-4-10-5-7-11/h3,10H,2,4-7H2,1H3
InChIKeyKKJUTLYHPIOLST-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.45
Rot. Bonds2

About N-(1-piperazin-1-ylprop-1-enyl)methanimine

N-(1-piperazin-1-ylprop-1-enyl)methanimine (PubChem CID 91155840) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-(1-piperazin-1-ylprop-1-enyl)methanimine.

Molecular Properties

Compound NameN-(1-piperazin-1-ylprop-1-enyl)methanimine
PubChem CID91155840
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-(1-piperazin-1-ylprop-1-enyl)methanimine
SMILESC=NC(=CC)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-3-8(9-2)11-6-4-10-5-7-11/h3,10H,2,4-7H2,1H3
InChIKeyKKJUTLYHPIOLST-UHFFFAOYSA-N
XLogP0.45
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z,3E)-4-fluoro-1-piperazin-1-ylpenta-1,3-dienyl]methanimine
CID 144179587
N-(1-piperazin-1-ylethenyl)ethanimine
CID 68377765
N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide
CID 118973132
N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine
CID 123221318
(1E,3E)-4-iodo-4-(methylideneamino)-1-piperazin-1-ylbuta-1,3-dien-1-amine
CID 134406582
ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
CID 142180476
(Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine
CID 142486513
ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine
CID 143703268
(Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine
CID 143834887
(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]prop-2-en-1-imine
CID 143834893
N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]methanimine
CID 144562371
(E)-N-methyl-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine
CID 156371262

Frequently Asked Questions

What is the IUPAC name of N-(1-piperazin-1-ylprop-1-enyl)methanimine?
The IUPAC name of N-(1-piperazin-1-ylprop-1-enyl)methanimine (CID 91155840) is N-(1-piperazin-1-ylprop-1-enyl)methanimine.
What is the SMILES notation for N-(1-piperazin-1-ylprop-1-enyl)methanimine?
The canonical SMILES for N-(1-piperazin-1-ylprop-1-enyl)methanimine is C=NC(=CC)N1CCNCC1.
What is the InChIKey of N-(1-piperazin-1-ylprop-1-enyl)methanimine?
The InChIKey is KKJUTLYHPIOLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-8(9-2)11-6-4-10-5-7-11/h3,10H,2,4-7H2,1H3.
What are the key properties of N-(1-piperazin-1-ylprop-1-enyl)methanimine?
N-(1-piperazin-1-ylprop-1-enyl)methanimine has a molecular weight of 153.23 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperazin-1-ylprop-1-enyl)methanimine is sourced from PubChem (CID 91155840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).