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

C14H24N2O — CID 142003257

IUPACN-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol
SMILESC=C/C=C\N=C(/C=C)C1CCN(C)CC1.CO
InChIInChI=1S/C13H20N2.CH4O/c1-4-6-9-14-13(5-2)12-7-10-15(3)11-8-12;1-2/h4-6,9,12H,1-2,7-8,10-11H2,3H3;2H,1H3/b9-6-,14-13+;
InChIKeyBLPYFASFSHOSCA-OGFINYSKSA-N
MW236.36 g/mol
LogP2.26
Rot. Bonds4

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

N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol (PubChem CID 142003257) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol
PubChem CID142003257
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol
SMILESC=C/C=C\N=C(/C=C)C1CCN(C)CC1.CO
InChIInChI=1S/C13H20N2.CH4O/c1-4-6-9-14-13(5-2)12-7-10-15(3)11-8-12;1-2/h4-6,9,12H,1-2,7-8,10-11H2,3H3;2H,1H3/b9-6-,14-13+;
InChIKeyBLPYFASFSHOSCA-OGFINYSKSA-N
XLogP2.26
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-methoxyethenyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 142003251
4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine
CID 170203953
N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 142003258
2-Methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine
CID 143466930

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;methanol?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol (CID 142003257) is N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol is C=C/C=C\N=C(/C=C)C1CCN(C)CC1.CO.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol?
The InChIKey is BLPYFASFSHOSCA-OGFINYSKSA-N. The full InChI is InChI=1S/C13H20N2.CH4O/c1-4-6-9-14-13(5-2)12-7-10-15(3)11-8-12;1-2/h4-6,9,12H,1-2,7-8,10-11H2,3H3;2H,1H3/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;methanol?
N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol has a molecular weight of 236.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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;methanol is sourced from PubChem (CID 142003257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).