4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine

C17H27NO2 — CID 146527929

IUPAC4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine
SMILESC=C/C=C\C(=C/C=C)OCCN1CCC(C)(OC)CC1
InChIInChI=1S/C17H27NO2/c1-5-7-9-16(8-6-2)20-15-14-18-12-10-17(3,19-4)11-13-18/h5-9H,1-2,10-15H2,3-4H3/b9-7-,16-8+
InChIKeyWOTFXNRTCXXJEX-KQGIKXCNSA-N
MW277.41 g/mol
LogP3.32
Rot. Bonds8

About 4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine

4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine (PubChem CID 146527929) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine
PubChem CID146527929
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine
SMILESC=C/C=C\C(=C/C=C)OCCN1CCC(C)(OC)CC1
InChIInChI=1S/C17H27NO2/c1-5-7-9-16(8-6-2)20-15-14-18-12-10-17(3,19-4)11-13-18/h5-9H,1-2,10-15H2,3-4H3/b9-7-,16-8+
InChIKeyWOTFXNRTCXXJEX-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine?
The IUPAC name of 4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine (CID 146527929) is 4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine.
What is the SMILES notation for 4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine?
The canonical SMILES for 4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine is C=C/C=C\C(=C/C=C)OCCN1CCC(C)(OC)CC1.
What is the InChIKey of 4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine?
The InChIKey is WOTFXNRTCXXJEX-KQGIKXCNSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-7-9-16(8-6-2)20-15-14-18-12-10-17(3,19-4)11-13-18/h5-9H,1-2,10-15H2,3-4H3/b9-7-,16-8+.
What are the key properties of 4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine?
4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine 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 4-methoxy-4-methyl-1-[2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxyethyl]piperidine is sourced from PubChem (CID 146527929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).