1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine

C14H23NO — CID 134485009

IUPAC1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine
SMILESC=C/C(C)=C(/C=C)OCCN1CCCCC1
InChIInChI=1S/C14H23NO/c1-4-13(3)14(5-2)16-12-11-15-9-7-6-8-10-15/h4-5H,1-2,6-12H2,3H3/b14-13-
InChIKeyYOJRTYHFGYGTOD-YPKPFQOOSA-N
MW221.34 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine

1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine (PubChem CID 134485009) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine
PubChem CID134485009
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine
SMILESC=C/C(C)=C(/C=C)OCCN1CCCCC1
InChIInChI=1S/C14H23NO/c1-4-13(3)14(5-2)16-12-11-15-9-7-6-8-10-15/h4-5H,1-2,6-12H2,3H3/b14-13-
InChIKeyYOJRTYHFGYGTOD-YPKPFQOOSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
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

1-[(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienyl]piperidine
CID 144301948
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
1-[2-(7-Methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
CID 90905041
1-[2-(4-Ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
CID 123636866
1-[2-(Cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine
CID 129142309
ethane;1-[2-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]oxyethyl]piperidine
CID 141825118
1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 141973839
1-(2-Cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane
CID 142368757
1-(2-Cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine
CID 142368758
6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine
CID 142483680
4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
CID 143052647

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine (CID 134485009) is 1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine is C=C/C(C)=C(/C=C)OCCN1CCCCC1.
What is the InChIKey of 1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine?
The InChIKey is YOJRTYHFGYGTOD-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-13(3)14(5-2)16-12-11-15-9-7-6-8-10-15/h4-5H,1-2,6-12H2,3H3/b14-13-.
What are the key properties of 1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine?
1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine has a molecular weight of 221.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine is sourced from PubChem (CID 134485009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).