1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine

C14H21NO — CID 139541228

IUPAC1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
SMILESCC1=CCC=CC=C1OC1CCN(C)CC1
InChIInChI=1S/C14H21NO/c1-12-6-4-3-5-7-14(12)16-13-8-10-15(2)11-9-13/h3,5-7,13H,4,8-11H2,1-2H3
InChIKeyJXZFLZQJTASAEM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds2

About 1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine

1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine (PubChem CID 139541228) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine.

Molecular Properties

Compound Name1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
PubChem CID139541228
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
SMILESCC1=CCC=CC=C1OC1CCN(C)CC1
InChIInChI=1S/C14H21NO/c1-12-6-4-3-5-7-14(12)16-13-8-10-15(2)11-9-13/h3,5-7,13H,4,8-11H2,1-2H3
InChIKeyJXZFLZQJTASAEM-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
ethane;1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394648
4-(6-Fluorocyclohexa-1,5-dien-1-yl)oxy-1-methylpiperidine
CID 144191902
Ethane;1-methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168416
1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394649
1-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
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-(3-Cyclohexa-2,5-dien-1-yloxypropyl)piperidine
CID 57115460
4-(5-Methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 70917166
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine?
The IUPAC name of 1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine (CID 139541228) is 1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine.
What is the SMILES notation for 1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine?
The canonical SMILES for 1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine is CC1=CCC=CC=C1OC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine?
The InChIKey is JXZFLZQJTASAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-6-4-3-5-7-14(12)16-13-8-10-15(2)11-9-13/h3,5-7,13H,4,8-11H2,1-2H3.
What are the key properties of 1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine?
1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine is sourced from PubChem (CID 139541228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).