(Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine

C13H21ClN2 — CID 144598438

IUPAC(Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
SMILESC/C=C(Cl)\C=N/C(=C/CC)N1CCCCC1
InChIInChI=1S/C13H21ClN2/c1-3-8-13(15-11-12(14)4-2)16-9-6-5-7-10-16/h4,8,11H,3,5-7,9-10H2,1-2H3/b12-4+,13-8-,15-11-
InChIKeyCMYYCJINMLWYLB-SWOSLHDASA-N
MW240.78 g/mol
LogP3.94
Rot. Bonds4

About (Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine

(Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine (PubChem CID 144598438) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is (Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
PubChem CID144598438
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name(Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
SMILESC/C=C(Cl)\C=N/C(=C/CC)N1CCCCC1
InChIInChI=1S/C13H21ClN2/c1-3-8-13(15-11-12(14)4-2)16-9-6-5-7-10-16/h4,8,11H,3,5-7,9-10H2,1-2H3/b12-4+,13-8-,15-11-
InChIKeyCMYYCJINMLWYLB-SWOSLHDASA-N
XLogP3.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-piperidin-1-ylbut-1-enyl]ethanimine
CID 173856099
(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
CID 144598444
(Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine
CID 144598531
(Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine
CID 144598575

Frequently Asked Questions

What is the IUPAC name of (Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine?
The IUPAC name of (Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine (CID 144598438) is (Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine?
The canonical SMILES for (Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine is C/C=C(Cl)\C=N/C(=C/CC)N1CCCCC1.
What is the InChIKey of (Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine?
The InChIKey is CMYYCJINMLWYLB-SWOSLHDASA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-8-13(15-11-12(14)4-2)16-9-6-5-7-10-16/h4,8,11H,3,5-7,9-10H2,1-2H3/b12-4+,13-8-,15-11-.
What are the key properties of (Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine?
(Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine has a molecular weight of 240.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 144598438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).