4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine

C14H23N — CID 126517133

IUPAC4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine
SMILESCC=CC/C=C(\C=C/C)C1CCNCC1
InChIInChI=1S/C14H23N/c1-3-5-6-8-13(7-4-2)14-9-11-15-12-10-14/h3-5,7-8,14-15H,6,9-12H2,1-2H3/b5-3?,7-4-,13-8+
InChIKeyMFGPJLLAVIBWNH-FCEIUNIBSA-N
MW205.34 g/mol
LogP3.45
Rot. Bonds4

About 4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine

4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine (PubChem CID 126517133) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine.

Molecular Properties

Compound Name4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine
PubChem CID126517133
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine
SMILESCC=CC/C=C(\C=C/C)C1CCNCC1
InChIInChI=1S/C14H23N/c1-3-5-6-8-13(7-4-2)14-9-11-15-12-10-14/h3-5,7-8,14-15H,6,9-12H2,1-2H3/b5-3?,7-4-,13-8+
InChIKeyMFGPJLLAVIBWNH-FCEIUNIBSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
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 4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine?
The IUPAC name of 4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine (CID 126517133) is 4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine.
What is the SMILES notation for 4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine?
The canonical SMILES for 4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine is CC=CC/C=C(\C=C/C)C1CCNCC1.
What is the InChIKey of 4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine?
The InChIKey is MFGPJLLAVIBWNH-FCEIUNIBSA-N. The full InChI is InChI=1S/C14H23N/c1-3-5-6-8-13(7-4-2)14-9-11-15-12-10-14/h3-5,7-8,14-15H,6,9-12H2,1-2H3/b5-3?,7-4-,13-8+.
What are the key properties of 4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine?
4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine has a molecular weight of 205.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine is sourced from PubChem (CID 126517133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).