4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine

C18H31NO — CID 169173047

IUPAC4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine
SMILESC/C=C\C(=C/C=C/C)OC1CCN(C(C)CCC)CC1
InChIInChI=1S/C18H31NO/c1-5-8-11-17(10-7-3)20-18-12-14-19(15-13-18)16(4)9-6-2/h5,7-8,10-11,16,18H,6,9,12-15H2,1-4H3/b8-5+,10-7-,17-11+
InChIKeyCDZHDULZGOJBGW-DBNHGZKNSA-N
MW277.45 g/mol
LogP4.69
Rot. Bonds7

About 4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine

4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine (PubChem CID 169173047) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine
PubChem CID169173047
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine
SMILESC/C=C\C(=C/C=C/C)OC1CCN(C(C)CCC)CC1
InChIInChI=1S/C18H31NO/c1-5-8-11-17(10-7-3)20-18-12-14-19(15-13-18)16(4)9-6-2/h5,7-8,10-11,16,18H,6,9,12-15H2,1-4H3/b8-5+,10-7-,17-11+
InChIKeyCDZHDULZGOJBGW-DBNHGZKNSA-N
XLogP4.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine
CID 142009456
1-Methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine
CID 142206696
1-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
4-(3-Piperidinopropoxy)phenylmagnesium bromide
CID 57672029
4-[(E)-but-2-enoxy]-1-methylpiperidine
CID 59007600
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
CID 88582834
4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine
CID 139334640
4-[(1Z,3Z,5Z)-1-methoxyhepta-1,3,5-trien-2-yl]oxy-1-(4-methylpentyl)piperidine
CID 141815464
4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
CID 142009560
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine
CID 142327140
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine
CID 143443373
ethane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]oxypiperidine
CID 144191963

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine?
The IUPAC name of 4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine (CID 169173047) is 4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine.
What is the SMILES notation for 4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine?
The canonical SMILES for 4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine is C/C=C\C(=C/C=C/C)OC1CCN(C(C)CCC)CC1.
What is the InChIKey of 4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine?
The InChIKey is CDZHDULZGOJBGW-DBNHGZKNSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-8-11-17(10-7-3)20-18-12-14-19(15-13-18)16(4)9-6-2/h5,7-8,10-11,16,18H,6,9,12-15H2,1-4H3/b8-5+,10-7-,17-11+.
What are the key properties of 4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine?
4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine has a molecular weight of 277.45 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]oxy-1-pentan-2-ylpiperidine is sourced from PubChem (CID 169173047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).