ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine

C16H31N — CID 143302699

IUPACethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine
SMILESC=C.C=C/C(=C\C)CN1CCC(C)CC1.CC
InChIInChI=1S/C12H21N.C2H6.C2H4/c1-4-12(5-2)10-13-8-6-11(3)7-9-13;2*1-2/h4-5,11H,1,6-10H2,2-3H3;1-2H3;1-2H2/b12-5+;;
InChIKeyYGEXKSARYACHPO-ORQKEDRFSA-N
MW237.43 g/mol
LogP4.68
Rot. Bonds3

About ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine

ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine (PubChem CID 143302699) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine.

Molecular Properties

Compound Nameethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine
PubChem CID143302699
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Nameethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine
SMILESC=C.C=C/C(=C\C)CN1CCC(C)CC1.CC
InChIInChI=1S/C12H21N.C2H6.C2H4/c1-4-12(5-2)10-13-8-6-11(3)7-9-13;2*1-2/h4-5,11H,1,6-10H2,2-3H3;1-2H3;1-2H2/b12-5+;;
InChIKeyYGEXKSARYACHPO-ORQKEDRFSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine
CID 144825282
1-(2-ethenylbut-2-enyl)-4-methylpiperazine
CID 123509930
1-(3-methylpyrrolidin-1-yl)but-3-en-2-one
CID 167082770
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
CID 145044372
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
CID 166529175
1-but-3-enyl-4-methylpiperidine
CID 88972276
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
ethane;1-ethyl-4-methylpiperidine
CID 143737046
1-[(Z,4Z)-4-ethylidenehept-5-enyl]-4-methylpiperidine
CID 143745628
ethane;5-ethenyl-N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-6-methylsulfanylpyrimidin-4-amine
CID 143775405
1-(2-chloroprop-2-enyl)-4-methylazepane
CID 130709084

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine?
The IUPAC name of ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine (CID 143302699) is ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine.
What is the SMILES notation for ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine?
The canonical SMILES for ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine is C=C.C=C/C(=C\C)CN1CCC(C)CC1.CC.
What is the InChIKey of ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine?
The InChIKey is YGEXKSARYACHPO-ORQKEDRFSA-N. The full InChI is InChI=1S/C12H21N.C2H6.C2H4/c1-4-12(5-2)10-13-8-6-11(3)7-9-13;2*1-2/h4-5,11H,1,6-10H2,2-3H3;1-2H3;1-2H2/b12-5+;;.
What are the key properties of ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine?
ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine has a molecular weight of 237.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine is sourced from PubChem (CID 143302699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).