4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane

C18H35N — CID 142250353

IUPAC4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane
SMILESC/C=C\C(=C/C)CN1CCC(CCCC)CC1.CC
InChIInChI=1S/C16H29N.C2H6/c1-4-7-9-16-10-12-17(13-11-16)14-15(6-3)8-5-2;1-2/h5-6,8,16H,4,7,9-14H2,1-3H3;1-2H3/b8-5-,15-6+;
InChIKeyAJUPCPWTIDMPCH-SXKIWYRESA-N
MW265.49 g/mol
LogP5.44
Rot. Bonds6

About 4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane

4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane (PubChem CID 142250353) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is 4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane.

Molecular Properties

Compound Name4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane
PubChem CID142250353
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC Name4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane
SMILESC/C=C\C(=C/C)CN1CCC(CCCC)CC1.CC
InChIInChI=1S/C16H29N.C2H6/c1-4-7-9-16-10-12-17(13-11-16)14-15(6-3)8-5-2;1-2/h5-6,8,16H,4,7,9-14H2,1-3H3;1-2H3/b8-5-,15-6+;
InChIKeyAJUPCPWTIDMPCH-SXKIWYRESA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane?
The IUPAC name of 4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane (CID 142250353) is 4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane.
What is the SMILES notation for 4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane?
The canonical SMILES for 4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane is C/C=C\C(=C/C)CN1CCC(CCCC)CC1.CC.
What is the InChIKey of 4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane?
The InChIKey is AJUPCPWTIDMPCH-SXKIWYRESA-N. The full InChI is InChI=1S/C16H29N.C2H6/c1-4-7-9-16-10-12-17(13-11-16)14-15(6-3)8-5-2;1-2/h5-6,8,16H,4,7,9-14H2,1-3H3;1-2H3/b8-5-,15-6+;.
What are the key properties of 4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane?
4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane has a molecular weight of 265.49 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidine;ethane is sourced from PubChem (CID 142250353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).