N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine

C13H20N2 — CID 142003258

IUPACN-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
SMILESC=C/C=C\N=C(/C=C)C1CCN(C)CC1
InChIInChI=1S/C13H20N2/c1-4-6-9-14-13(5-2)12-7-10-15(3)11-8-12/h4-6,9,12H,1-2,7-8,10-11H2,3H3/b9-6-,14-13+
InChIKeyACZBYWXHRJXZQT-VFMLYFKRSA-N
MW204.32 g/mol
LogP2.65
Rot. Bonds4

About N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine

N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine (PubChem CID 142003258) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
PubChem CID142003258
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
SMILESC=C/C=C\N=C(/C=C)C1CCN(C)CC1
InChIInChI=1S/C13H20N2/c1-4-6-9-14-13(5-2)12-7-10-15(3)11-8-12/h4-6,9,12H,1-2,7-8,10-11H2,3H3/b9-6-,14-13+
InChIKeyACZBYWXHRJXZQT-VFMLYFKRSA-N
XLogP2.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(3H-pyrrol-2-yl)piperidine
CID 58108227
4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine
CID 59176366
4-(4-Methylpiperidin-1-yl)-3,4-dihydropyridine
CID 66805449
N-ethenyl-3-(1-methylidenepiperidin-1-ium-4-yl)but-3-en-2-imine
CID 123789135
N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 123879121
3,4-dimethyl-N-(1-methylpiperidin-4-yl)-3,4-dihydroazepin-5-imine
CID 123995864
4-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-1-ethylpiperidine-4-carbonitrile
CID 124143145
N-[(E)-but-1-en-3-ynyl]-1-(1,4-dimethylpiperidin-4-yl)prop-2-en-1-imine
CID 130216409
1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
CID 141203200
N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 142003251
N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol
CID 142003257
N-[(E)-2-bromoprop-1-enyl]-1-(1-methylpiperidin-3-yl)prop-2-en-1-imine
CID 143003989

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine (CID 142003258) is N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine is C=C/C=C\N=C(/C=C)C1CCN(C)CC1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
The InChIKey is ACZBYWXHRJXZQT-VFMLYFKRSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-6-9-14-13(5-2)12-7-10-15(3)11-8-12/h4-6,9,12H,1-2,7-8,10-11H2,3H3/b9-6-,14-13+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine?
N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine has a molecular weight of 204.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 142003258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).