1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine

C15H25NO — CID 173139461

IUPAC1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
SMILESCC1=CC(OCCCN2CCCCC2)=CCC1
InChIInChI=1S/C15H25NO/c1-14-7-5-8-15(13-14)17-12-6-11-16-9-3-2-4-10-16/h8,13H,2-7,9-12H2,1H3
InChIKeyWNMZTDXVNWDHMS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.50
Rot. Bonds5

About 1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine

1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine (PubChem CID 173139461) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine.

Molecular Properties

Compound Name1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
PubChem CID173139461
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
SMILESCC1=CC(OCCCN2CCCCC2)=CCC1
InChIInChI=1S/C15H25NO/c1-14-7-5-8-15(13-14)17-12-6-11-16-9-3-2-4-10-16/h8,13H,2-7,9-12H2,1H3
InChIKeyWNMZTDXVNWDHMS-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-Fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 123168712
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
4-(6-Fluorocyclohexa-1,5-dien-1-yl)oxy-1-methylpiperidine
CID 144191902
4-[(6-Fluorocyclohexa-1,5-dien-1-yl)methoxy]-1,4-dimethylpiperidine
CID 144279161
(3R)-1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]-3-methylpiperidine
CID 144302531
Ethane;1-methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168416
1-[3-(6-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173134828
1-[3-(5-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173184242
Pyranoquinolizidine
CID 129805242
1-Ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502855
1-Methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168417
1-[(4-Methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
CID 21283386

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
The IUPAC name of 1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine (CID 173139461) is 1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine.
What is the SMILES notation for 1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
The canonical SMILES for 1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine is CC1=CC(OCCCN2CCCCC2)=CCC1.
What is the InChIKey of 1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
The InChIKey is WNMZTDXVNWDHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14-7-5-8-15(13-14)17-12-6-11-16-9-3-2-4-10-16/h8,13H,2-7,9-12H2,1H3.
What are the key properties of 1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine has a molecular weight of 235.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine is sourced from PubChem (CID 173139461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).