(E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine

C14H27N5 — CID 139420880

IUPAC(E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
SMILESCN1CCC(N2CCC(/N=C/C(N)=C\N)CC2)CC1
InChIInChI=1S/C14H27N5/c1-18-6-4-14(5-7-18)19-8-2-13(3-9-19)17-11-12(16)10-15/h10-11,13-14H,2-9,15-16H2,1H3/b12-10+,17-11+
InChIKeyHCNPYXHLGLFPJK-SVSXJNCISA-N
MW265.40 g/mol
LogP0.37
Rot. Bonds3

About (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine

(E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine (PubChem CID 139420880) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
PubChem CID139420880
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name(E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
SMILESCN1CCC(N2CCC(/N=C/C(N)=C\N)CC2)CC1
InChIInChI=1S/C14H27N5/c1-18-6-4-14(5-7-18)19-8-2-13(3-9-19)17-11-12(16)10-15/h10-11,13-14H,2-9,15-16H2,1H3/b12-10+,17-11+
InChIKeyHCNPYXHLGLFPJK-SVSXJNCISA-N
XLogP0.37
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride
CID 134875136
2-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]-1,2-dihydropyrimidin-5-amine
CID 117813680
(E)-3-(1-cyclopropylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
CID 145613148
3-(1-Methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
CID 148281286
[(E)-2-amino-3-iminoprop-1-enyl]-(1-methylpiperidin-4-yl)azanium
CID 153566877
2-methyl-2-N-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine
CID 154120127
methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
CID 166160047
(E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
CID 168896935
3-[1-(1-Methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
CID 173820408
2-(4-Methylpiperazin-1-yl)-3-piperidin-4-yliminoprop-1-en-1-amine
CID 173999669
2-Piperidin-1-yl-3-piperidin-4-yliminoprop-1-en-1-amine
CID 173999837
3-[1-(Cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
CID 174067075

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine?
The IUPAC name of (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine (CID 139420880) is (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine is CN1CCC(N2CCC(/N=C/C(N)=C\N)CC2)CC1.
What is the InChIKey of (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine?
The InChIKey is HCNPYXHLGLFPJK-SVSXJNCISA-N. The full InChI is InChI=1S/C14H27N5/c1-18-6-4-14(5-7-18)19-8-2-13(3-9-19)17-11-12(16)10-15/h10-11,13-14H,2-9,15-16H2,1H3/b12-10+,17-11+.
What are the key properties of (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine?
(E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine is sourced from PubChem (CID 139420880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).