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

C12H21N3 — CID 134406286

IUPAC(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)CN1CCNCC1
InChIInChI=1S/C12H21N3/c1-4-12(9-14-11(2)3)10-15-7-5-13-6-8-15/h4,9,13H,2,5-8,10H2,1,3H3/b12-4+,14-9+
InChIKeyAYPMMWXUCMZRBZ-QDMOOPBQSA-N
MW207.32 g/mol
LogP1.44
Rot. Bonds4

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

(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 134406286) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID134406286
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)CN1CCNCC1
InChIInChI=1S/C12H21N3/c1-4-12(9-14-11(2)3)10-15-7-5-13-6-8-15/h4,9,13H,2,5-8,10H2,1,3H3/b12-4+,14-9+
InChIKeyAYPMMWXUCMZRBZ-QDMOOPBQSA-N
XLogP1.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.44
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

ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197718
1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
(Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 145198211
1-[(2E,3Z)-2-ethylidene-5-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)hexa-3,5-dienyl]-1,4,8,11-tetrazacyclotetradecane
CID 138462145
(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145197990
1-[(Z)-2-(2-piperazin-1-ylethyl)but-2-enyl]piperazine
CID 70026988
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882
CID 140659696
CID 140659696
1-[(E)-2-ethylhex-2-enyl]piperazine
CID 20521851
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
ethane;2-piperazin-1-ylacetic acid
CID 143723779

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine (CID 134406286) is (Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)/N=C/C(=C\C)CN1CCNCC1.
What is the InChIKey of (Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is AYPMMWXUCMZRBZ-QDMOOPBQSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(9-14-11(2)3)10-15-7-5-13-6-8-15/h4,9,13H,2,5-8,10H2,1,3H3/b12-4+,14-9+.
What are the key properties of (Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine?
(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 134406286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).