[(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene

C17H31NO2 — CID 142940682

IUPAC[(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene
SMILESC/C=C/COC(=O)N1CCC(C(C)CC)CC1.C=CC
InChIInChI=1S/C14H25NO2.C3H6/c1-4-6-11-17-14(16)15-9-7-13(8-10-15)12(3)5-2;1-3-2/h4,6,12-13H,5,7-11H2,1-3H3;3H,1H2,2H3/b6-4+;
InChIKeyWIPUBSFZLGDHHB-CVDVRWGVSA-N
MW281.44 g/mol
LogP4.65
Rot. Bonds4

About [(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene

[(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene (PubChem CID 142940682) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is [(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene.

Molecular Properties

Compound Name[(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene
PubChem CID142940682
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name[(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene
SMILESC/C=C/COC(=O)N1CCC(C(C)CC)CC1.C=CC
InChIInChI=1S/C14H25NO2.C3H6/c1-4-6-11-17-14(16)15-9-7-13(8-10-15)12(3)5-2;1-3-2/h4,6,12-13H,5,7-11H2,1-3H3;3H,1H2,2H3/b6-4+;
InChIKeyWIPUBSFZLGDHHB-CVDVRWGVSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 112627490
prop-2-enyl 4-iodopiperidine-1-carboxylate
CID 130407658
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
(E)-1-(4-butan-2-ylpiperidin-1-yl)-4-(dimethylamino)but-2-en-1-one
CID 139479032
prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate
CID 70468827
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
CID 91734422
1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742586
1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane
CID 176985885
methyl 3-butan-2-ylpiperidine-1-carboxylate
CID 171824675
4-butan-2-yl-1-hydroxypiperidine
CID 59870205

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene?
The IUPAC name of [(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene (CID 142940682) is [(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene.
What is the SMILES notation for [(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene?
The canonical SMILES for [(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene is C/C=C/COC(=O)N1CCC(C(C)CC)CC1.C=CC.
What is the InChIKey of [(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene?
The InChIKey is WIPUBSFZLGDHHB-CVDVRWGVSA-N. The full InChI is InChI=1S/C14H25NO2.C3H6/c1-4-6-11-17-14(16)15-9-7-13(8-10-15)12(3)5-2;1-3-2/h4,6,12-13H,5,7-11H2,1-3H3;3H,1H2,2H3/b6-4+;.
What are the key properties of [(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene?
[(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene has a molecular weight of 281.44 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene is sourced from PubChem (CID 142940682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).