(Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine

C13H23N3 — CID 145198211

IUPAC(Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)C(C)N1CCNCC1
InChIInChI=1S/C13H23N3/c1-5-13(10-15-11(2)3)12(4)16-8-6-14-7-9-16/h5,10,12,14H,2,6-9H2,1,3-4H3/b13-5+,15-10+
InChIKeySPTKXNWQWLPOHI-FELWAHSYSA-N
MW221.35 g/mol
LogP1.83
Rot. Bonds4

About (Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine

(Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 145198211) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID145198211
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)C(C)N1CCNCC1
InChIInChI=1S/C13H23N3/c1-5-13(10-15-11(2)3)12(4)16-8-6-14-7-9-16/h5,10,12,14H,2,6-9H2,1,3-4H3/b13-5+,15-10+
InChIKeySPTKXNWQWLPOHI-FELWAHSYSA-N
XLogP1.83
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.83
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

(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197718
2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine
CID 123378360
1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026885
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
1-[(Z)-pent-3-en-2-yl]piperazine
CID 70169405
N-methyl-N-(4-methylpentan-2-yl)-2-piperazin-1-ylpropanamide
CID 55000406
2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide
CID 66782605
1-propan-2-ylpiperazine;vanadium
CID 162375922
2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid
CID 58654629
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine (CID 145198211) is (Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)/N=C/C(=C\C)C(C)N1CCNCC1.
What is the InChIKey of (Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is SPTKXNWQWLPOHI-FELWAHSYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-13(10-15-11(2)3)12(4)16-8-6-14-7-9-16/h5,10,12,14H,2,6-9H2,1,3-4H3/b13-5+,15-10+.
What are the key properties of (Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
(Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 221.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 145198211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).