1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline

C18H26N2 — CID 21135886

IUPAC1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline
SMILESC/C=C/CN1CCC(N2CCCc3ccccc32)CC1
InChIInChI=1S/C18H26N2/c1-2-3-12-19-14-10-17(11-15-19)20-13-6-8-16-7-4-5-9-18(16)20/h2-5,7,9,17H,6,8,10-15H2,1H3/b3-2+
InChIKeyMTBGWHNTBPLJTC-NSCUHMNNSA-N
MW270.42 g/mol
LogP3.48
Rot. Bonds3

About 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline

1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline (PubChem CID 21135886) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline
PubChem CID21135886
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline
SMILESC/C=C/CN1CCC(N2CCCc3ccccc32)CC1
InChIInChI=1S/C18H26N2/c1-2-3-12-19-14-10-17(11-15-19)20-13-6-8-16-7-4-5-9-18(16)20/h2-5,7,9,17H,6,8,10-15H2,1H3/b3-2+
InChIKeyMTBGWHNTBPLJTC-NSCUHMNNSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

1-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydro-2H-quinoline
CID 23570249
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
2-[(E)-but-2-enyl]-1,3-dihydroisoindole
CID 131234693
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine
CID 12023374
3-(3,4-dihydro-2H-quinolin-1-yl)cyclopentan-1-amine
CID 79464524
anisole;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
CID 174390999
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
1,3-bis(but-2-enyl)-2,4-dihydroquinazoline
CID 3391327
2-(4-but-2-enylpiperazin-1-yl)phenol
CID 71900763
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22037972
1-[2-(4-methylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 54807289

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline (CID 21135886) is 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline is C/C=C/CN1CCC(N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is MTBGWHNTBPLJTC-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-3-12-19-14-10-17(11-15-19)20-13-6-8-16-7-4-5-9-18(16)20/h2-5,7,9,17H,6,8,10-15H2,1H3/b3-2+.
What are the key properties of 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline?
1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 270.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 21135886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).