4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine

C14H25NO — CID 59943682

IUPAC4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine
SMILESC/C=C\C=C(/C)OCCCC1CCNCC1
InChIInChI=1S/C14H25NO/c1-3-4-6-13(2)16-12-5-7-14-8-10-15-11-9-14/h3-4,6,14-15H,5,7-12H2,1-2H3/b4-3-,13-6+
InChIKeyLXIFUGQQHONLGK-GBCYEQIHSA-N
MW223.36 g/mol
LogP3.26
Rot. Bonds6

About 4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine

4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine (PubChem CID 59943682) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine.

Molecular Properties

Compound Name4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine
PubChem CID59943682
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine
SMILESC/C=C\C=C(/C)OCCCC1CCNCC1
InChIInChI=1S/C14H25NO/c1-3-4-6-13(2)16-12-5-7-14-8-10-15-11-9-14/h3-4,6,14-15H,5,7-12H2,1-2H3/b4-3-,13-6+
InChIKeyLXIFUGQQHONLGK-GBCYEQIHSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2E)-4-fluoropenta-2,4-dien-2-yl]oxymethyl]piperidine
CID 156207100
4-(3-Hexa-2,4-dien-2-yloxypropyl)piperidine
CID 72602614
4-[2-(6-Methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine
CID 91060293
4-[3-(4-Methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine
CID 139632101
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane
CID 143093704
N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine
CID 143885016
4-(Cyclododecahexaenyloxy)-3-propylpiperidine
CID 173994831
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine
CID 143093705

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine?
The IUPAC name of 4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine (CID 59943682) is 4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine.
What is the SMILES notation for 4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine?
The canonical SMILES for 4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine is C/C=C\C=C(/C)OCCCC1CCNCC1.
What is the InChIKey of 4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine?
The InChIKey is LXIFUGQQHONLGK-GBCYEQIHSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-6-13(2)16-12-5-7-14-8-10-15-11-9-14/h3-4,6,14-15H,5,7-12H2,1-2H3/b4-3-,13-6+.
What are the key properties of 4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine?
4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine has a molecular weight of 223.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine is sourced from PubChem (CID 59943682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).