(Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine

C14H26N2 — CID 130242041

IUPAC(Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine
SMILESC/C=C(C)\C=N\C(CC)CC1CCNCC1
InChIInChI=1S/C14H26N2/c1-4-12(3)11-16-14(5-2)10-13-6-8-15-9-7-13/h4,11,13-15H,5-10H2,1-3H3/b12-4-,16-11+
InChIKeyOJDWEEKECSZYCX-QCRGVSCGSA-N
MW222.38 g/mol
LogP3.19
Rot. Bonds5

About (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine

(Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine (PubChem CID 130242041) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine
PubChem CID130242041
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine
SMILESC/C=C(C)\C=N\C(CC)CC1CCNCC1
InChIInChI=1S/C14H26N2/c1-4-12(3)11-16-14(5-2)10-13-6-8-15-9-7-13/h4,11,13-15H,5-10H2,1-3H3/b12-4-,16-11+
InChIKeyOJDWEEKECSZYCX-QCRGVSCGSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine?
The IUPAC name of (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine (CID 130242041) is (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine is C/C=C(C)\C=N\C(CC)CC1CCNCC1.
What is the InChIKey of (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine?
The InChIKey is OJDWEEKECSZYCX-QCRGVSCGSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-12(3)11-16-14(5-2)10-13-6-8-15-9-7-13/h4,11,13-15H,5-10H2,1-3H3/b12-4-,16-11+.
What are the key properties of (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine?
(Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine has a molecular weight of 222.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine is sourced from PubChem (CID 130242041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).