1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine

C16H27NO2 — CID 176992779

IUPAC1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine
SMILESC=C/C=C\C(=C)OCCOCCN1CCC(C)CC1
InChIInChI=1S/C16H27NO2/c1-4-5-6-16(3)19-14-13-18-12-11-17-9-7-15(2)8-10-17/h4-6,15H,1,3,7-14H2,2H3/b6-5-
InChIKeyDABBNLKMQAGIRD-WAYWQWQTSA-N
MW265.40 g/mol
LogP3.01
Rot. Bonds9

About 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine

1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine (PubChem CID 176992779) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine
PubChem CID176992779
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine
SMILESC=C/C=C\C(=C)OCCOCCN1CCC(C)CC1
InChIInChI=1S/C16H27NO2/c1-4-5-6-16(3)19-14-13-18-12-11-17-9-7-15(2)8-10-17/h4-6,15H,1,3,7-14H2,2H3/b6-5-
InChIKeyDABBNLKMQAGIRD-WAYWQWQTSA-N
XLogP3.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine (CID 176992779) is 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine is C=C/C=C\C(=C)OCCOCCN1CCC(C)CC1.
What is the InChIKey of 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine?
The InChIKey is DABBNLKMQAGIRD-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-16(3)19-14-13-18-12-11-17-9-7-15(2)8-10-17/h4-6,15H,1,3,7-14H2,2H3/b6-5-.
What are the key properties of 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine?
1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine has a molecular weight of 265.40 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]-4-methylpiperidine is sourced from PubChem (CID 176992779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).