ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine

C15H27N — CID 166529175

IUPACethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
SMILESC=C/C(=C\C=C/C)CN1CCCCC1.CC
InChIInChI=1S/C13H21N.C2H6/c1-3-5-9-13(4-2)12-14-10-7-6-8-11-14;1-2/h3-5,9H,2,6-8,10-12H2,1H3;1-2H3/b5-3-,13-9+;
InChIKeyMPIPSERGTLTCQF-SHNMFRIGSA-N
MW221.39 g/mol
LogP4.19
Rot. Bonds4

About ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine

ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine (PubChem CID 166529175) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine.

Molecular Properties

Compound Nameethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
PubChem CID166529175
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
SMILESC=C/C(=C\C=C/C)CN1CCCCC1.CC
InChIInChI=1S/C13H21N.C2H6/c1-3-5-9-13(4-2)12-14-10-7-6-8-11-14;1-2/h3-5,9H,2,6-8,10-12H2,1H3;1-2H3/b5-3-,13-9+;
InChIKeyMPIPSERGTLTCQF-SHNMFRIGSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.19
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 ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine?
The IUPAC name of ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine (CID 166529175) is ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine.
What is the SMILES notation for ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine?
The canonical SMILES for ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine is C=C/C(=C\C=C/C)CN1CCCCC1.CC.
What is the InChIKey of ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine?
The InChIKey is MPIPSERGTLTCQF-SHNMFRIGSA-N. The full InChI is InChI=1S/C13H21N.C2H6/c1-3-5-9-13(4-2)12-14-10-7-6-8-11-14;1-2/h3-5,9H,2,6-8,10-12H2,1H3;1-2H3/b5-3-,13-9+;.
What are the key properties of ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine?
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine has a molecular weight of 221.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine is sourced from PubChem (CID 166529175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).