butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine

C25H45N — CID 142169641

IUPACbutane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine
SMILESC=C/C=C(\C=C/C)CN1CCC(C(=CCC)CCCC)CC1.CCCC
InChIInChI=1S/C21H35N.C4H10/c1-5-9-13-20(12-8-4)21-14-16-22(17-15-21)18-19(10-6-2)11-7-3;1-3-4-2/h6-7,10-12,21H,2,5,8-9,13-18H2,1,3-4H3;3-4H2,1-2H3/b11-7-,19-10+,20-12?;
InChIKeyKJCBNYPCBZXVSN-AQJQWIIFSA-N
MW359.64 g/mol
LogP7.72
Rot. Bonds10

About butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine

butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine (PubChem CID 142169641) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine.

Molecular Properties

Compound Namebutane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine
PubChem CID142169641
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC Namebutane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine
SMILESC=C/C=C(\C=C/C)CN1CCC(C(=CCC)CCCC)CC1.CCCC
InChIInChI=1S/C21H35N.C4H10/c1-5-9-13-20(12-8-4)21-14-16-22(17-15-21)18-19(10-6-2)11-7-3;1-3-4-2/h6-7,10-12,21H,2,5,8-9,13-18H2,1,3-4H3;3-4H2,1-2H3/b11-7-,19-10+,20-12?;
InChIKeyKJCBNYPCBZXVSN-AQJQWIIFSA-N
XLogP7.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 57.72
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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Frequently Asked Questions

What is the IUPAC name of butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine?
The IUPAC name of butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine (CID 142169641) is butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine.
What is the SMILES notation for butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine?
The canonical SMILES for butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine is C=C/C=C(\C=C/C)CN1CCC(C(=CCC)CCCC)CC1.CCCC.
What is the InChIKey of butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine?
The InChIKey is KJCBNYPCBZXVSN-AQJQWIIFSA-N. The full InChI is InChI=1S/C21H35N.C4H10/c1-5-9-13-20(12-8-4)21-14-16-22(17-15-21)18-19(10-6-2)11-7-3;1-3-4-2/h6-7,10-12,21H,2,5,8-9,13-18H2,1,3-4H3;3-4H2,1-2H3/b11-7-,19-10+,20-12?;.
What are the key properties of butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine?
butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine has a molecular weight of 359.64 g/mol, XLogP of 7.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-oct-3-en-4-yl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine is sourced from PubChem (CID 142169641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).