1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine

C17H27NO2 — CID 134576685

IUPAC1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine
SMILESC=C/C=C\C(=C/C=C)OC1(C)CCN(CCOC)CC1
InChIInChI=1S/C17H27NO2/c1-5-7-9-16(8-6-2)20-17(3)10-12-18(13-11-17)14-15-19-4/h5-9H,1-2,10-15H2,3-4H3/b9-7-,16-8+
InChIKeyJQVLTLNXCIIDDW-KQGIKXCNSA-N
MW277.41 g/mol
LogP3.32
Rot. Bonds8

About 1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine

1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine (PubChem CID 134576685) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine
PubChem CID134576685
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine
SMILESC=C/C=C\C(=C/C=C)OC1(C)CCN(CCOC)CC1
InChIInChI=1S/C17H27NO2/c1-5-7-9-16(8-6-2)20-17(3)10-12-18(13-11-17)14-15-19-4/h5-9H,1-2,10-15H2,3-4H3/b9-7-,16-8+
InChIKeyJQVLTLNXCIIDDW-KQGIKXCNSA-N
XLogP3.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(7-Methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
CID 90905041
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperidine
CID 134576681
4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine
CID 138716471
4-[(1Z,3Z,5Z)-1-methoxyhepta-1,3,5-trien-2-yl]oxy-1-(4-methylpentyl)piperidine
CID 141815464
1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 141973839
ethane;[1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol
CID 145107635
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyethyl]-4-methylpiperidine
CID 146527891
4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine
CID 146527929
ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine
CID 153398624
ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine
CID 171071493
ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine
CID 176992778
4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine
CID 142997990

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine?
The IUPAC name of 1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine (CID 134576685) is 1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine is C=C/C=C\C(=C/C=C)OC1(C)CCN(CCOC)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine?
The InChIKey is JQVLTLNXCIIDDW-KQGIKXCNSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-7-9-16(8-6-2)20-17(3)10-12-18(13-11-17)14-15-19-4/h5-9H,1-2,10-15H2,3-4H3/b9-7-,16-8+.
What are the key properties of 1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine?
1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine has a molecular weight of 277.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine is sourced from PubChem (CID 134576685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).