4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine

C16H25NO — CID 143093202

IUPAC4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine
SMILESCC1=C/C(C)C/C=C(OC2CCN(C)CC2)/C=C\1
InChIInChI=1S/C16H25NO/c1-13-4-6-15(7-5-14(2)12-13)18-16-8-10-17(3)11-9-16/h4,6-7,12,14,16H,5,8-11H2,1-3H3/b6-4-,13-12-,15-7+
InChIKeyHIFZELYPBNBRGP-ZRKMWALTSA-N
MW247.38 g/mol
LogP3.52
Rot. Bonds2

About 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine

4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine (PubChem CID 143093202) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine.

Molecular Properties

Compound Name4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine
PubChem CID143093202
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine
SMILESCC1=C/C(C)C/C=C(OC2CCN(C)CC2)/C=C\1
InChIInChI=1S/C16H25NO/c1-13-4-6-15(7-5-14(2)12-13)18-16-8-10-17(3)11-9-16/h4,6-7,12,14,16H,5,8-11H2,1-3H3/b6-4-,13-12-,15-7+
InChIKeyHIFZELYPBNBRGP-ZRKMWALTSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-[(2E,4Z)-3-ethoxy-6-fluorohepta-2,4,6-trienyl]-3-methyl-4-[(E)-pent-2-en-2-yl]oxypiperidine
CID 134405162
ethane;1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394648
1-[(2-Fluoro-6-methoxycyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 144301902
4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine
CID 142399915
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
(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene;hydrochloride
CID 20509355
12-Methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene
CID 56636282
[4-(3-Methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane
CID 71188425
1-[(3Z,5Z)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxyocta-3,5-dienyl]-4-[4-[(1E,3Z,5E)-5-methylhepta-1,3,5-trienyl]cyclohexa-1,5-dien-1-yl]piperidine
CID 122651439
1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine
CID 129295937
8-ethyl-2-methyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220142

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine?
The IUPAC name of 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine (CID 143093202) is 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine.
What is the SMILES notation for 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine?
The canonical SMILES for 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine is CC1=C/C(C)C/C=C(OC2CCN(C)CC2)/C=C\1.
What is the InChIKey of 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine?
The InChIKey is HIFZELYPBNBRGP-ZRKMWALTSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-4-6-15(7-5-14(2)12-13)18-16-8-10-17(3)11-9-16/h4,6-7,12,14,16H,5,8-11H2,1-3H3/b6-4-,13-12-,15-7+.
What are the key properties of 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine?
4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine is sourced from PubChem (CID 143093202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).