4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine

C15H25NO — CID 91060293

IUPAC4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine
SMILESC=CC(=CC=C(C)C)OCCC1CCNCC1
InChIInChI=1S/C15H25NO/c1-4-15(6-5-13(2)3)17-12-9-14-7-10-16-11-8-14/h4-6,14,16H,1,7-12H2,2-3H3
InChIKeyPBBJBVHKJZHUKG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.43
Rot. Bonds6

About 4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine

4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine (PubChem CID 91060293) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine
PubChem CID91060293
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine
SMILESC=CC(=CC=C(C)C)OCCC1CCNCC1
InChIInChI=1S/C15H25NO/c1-4-15(6-5-13(2)3)17-12-9-14-7-10-16-11-8-14/h4-6,14,16H,1,7-12H2,2-3H3
InChIKeyPBBJBVHKJZHUKG-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[[(2Z,4E,6Z)-2,4-difluoroocta-2,4,6-trien-3-yl]oxymethyl]piperidine
CID 142816324
4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
CID 143759830
4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine
CID 59943682
4-(3-Hexa-2,4-dien-2-yloxypropyl)piperidine
CID 72602614
4-[2-(1,3,4-Trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine
CID 142147605
ethane;3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine;propane
CID 143089618
ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277788
4-[2-(6-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 144067829
3-[[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxymethyl]piperidine
CID 166104770
3-[(2-Methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 166104987
3-[[(3E)-hexa-1,3,5-trien-3-yl]oxymethyl]piperidine
CID 166105324
4-(Cyclododecahexaenyloxy)-3-propylpiperidine
CID 173994831

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine?
The IUPAC name of 4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine (CID 91060293) is 4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine is C=CC(=CC=C(C)C)OCCC1CCNCC1.
What is the InChIKey of 4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine?
The InChIKey is PBBJBVHKJZHUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-15(6-5-13(2)3)17-12-9-14-7-10-16-11-8-14/h4-6,14,16H,1,7-12H2,2-3H3.
What are the key properties of 4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine?
4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine has a molecular weight of 235.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine is sourced from PubChem (CID 91060293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).