2-(4-methoxyhexa-1,5-dien-3-yl)piperidine

C12H21NO — CID 145008013

IUPAC2-(4-methoxyhexa-1,5-dien-3-yl)piperidine
SMILESC=CC(OC)C(C=C)C1CCCCN1
InChIInChI=1S/C12H21NO/c1-4-10(12(5-2)14-3)11-8-6-7-9-13-11/h4-5,10-13H,1-2,6-9H2,3H3
InChIKeySGNFPXWCCKNEBC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.13
Rot. Bonds5

About 2-(4-methoxyhexa-1,5-dien-3-yl)piperidine

2-(4-methoxyhexa-1,5-dien-3-yl)piperidine (PubChem CID 145008013) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(4-methoxyhexa-1,5-dien-3-yl)piperidine.

Molecular Properties

Compound Name2-(4-methoxyhexa-1,5-dien-3-yl)piperidine
PubChem CID145008013
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(4-methoxyhexa-1,5-dien-3-yl)piperidine
SMILESC=CC(OC)C(C=C)C1CCCCN1
InChIInChI=1S/C12H21NO/c1-4-10(12(5-2)14-3)11-8-6-7-9-13-11/h4-5,10-13H,1-2,6-9H2,3H3
InChIKeySGNFPXWCCKNEBC-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyhexa-1,5-dien-3-yl)piperidine?
The IUPAC name of 2-(4-methoxyhexa-1,5-dien-3-yl)piperidine (CID 145008013) is 2-(4-methoxyhexa-1,5-dien-3-yl)piperidine.
What is the SMILES notation for 2-(4-methoxyhexa-1,5-dien-3-yl)piperidine?
The canonical SMILES for 2-(4-methoxyhexa-1,5-dien-3-yl)piperidine is C=CC(OC)C(C=C)C1CCCCN1.
What is the InChIKey of 2-(4-methoxyhexa-1,5-dien-3-yl)piperidine?
The InChIKey is SGNFPXWCCKNEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-10(12(5-2)14-3)11-8-6-7-9-13-11/h4-5,10-13H,1-2,6-9H2,3H3.
What are the key properties of 2-(4-methoxyhexa-1,5-dien-3-yl)piperidine?
2-(4-methoxyhexa-1,5-dien-3-yl)piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyhexa-1,5-dien-3-yl)piperidine is sourced from PubChem (CID 145008013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).