1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine

C14H23NO — CID 57115460

IUPAC1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine
SMILESC1=CC(OCCCN2CCCCC2)C=CC1
InChIInChI=1S/C14H23NO/c1-3-8-14(9-4-1)16-13-7-12-15-10-5-2-6-11-15/h3-4,8-9,14H,1-2,5-7,10-13H2
InChIKeyLIVFQYHFBMNSCE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.76
Rot. Bonds5

About 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine

1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine (PubChem CID 57115460) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine.

Molecular Properties

Compound Name1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine
PubChem CID57115460
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine
SMILESC1=CC(OCCCN2CCCCC2)C=CC1
InChIInChI=1S/C14H23NO/c1-3-8-14(9-4-1)16-13-7-12-15-10-5-2-6-11-15/h3-4,8-9,14H,1-2,5-7,10-13H2
InChIKeyLIVFQYHFBMNSCE-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
9-Methyl-1-oxa-9-azaspiro[5.5]undec-3-ene
CID 21050545
4-[(E)-but-2-enoxy]-1-methylpiperidine
CID 59007600
1-(3,6-dihydro-2H-pyran-2-yl)piperidine
CID 90897325
1-(3-Cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol
CID 90953626
1-Methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 139541228
1-Methyl-4-(5-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 141992259
4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine
CID 142009440
1-(2-Bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine
CID 142283549
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine
CID 142327140
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine;ethane
CID 144279255
ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine
CID 145194564

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine?
The IUPAC name of 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine (CID 57115460) is 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine.
What is the SMILES notation for 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine?
The canonical SMILES for 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine is C1=CC(OCCCN2CCCCC2)C=CC1.
What is the InChIKey of 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine?
The InChIKey is LIVFQYHFBMNSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-8-14(9-4-1)16-13-7-12-15-10-5-2-6-11-15/h3-4,8-9,14H,1-2,5-7,10-13H2.
What are the key properties of 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine?
1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine has a molecular weight of 221.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidine is sourced from PubChem (CID 57115460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).