[(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane

C14H26NOP — CID 143305049

IUPAC[(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane
SMILESCC/C=C\C(P)=C(/C)COCC1CCNCC1
InChIInChI=1S/C14H26NOP/c1-3-4-5-14(17)12(2)10-16-11-13-6-8-15-9-7-13/h4-5,13,15H,3,6-11,17H2,1-2H3/b5-4-,14-12-
InChIKeyUDFYJDUYPOCXEM-ZLUSXAHMSA-N
MW255.34 g/mol
LogP3.12
Rot. Bonds6

About [(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane

[(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane (PubChem CID 143305049) has the molecular formula C14H26NOP and a molecular weight of 255.34 g/mol. Its IUPAC name is [(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane.

Molecular Properties

Compound Name[(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane
PubChem CID143305049
Molecular FormulaC14H26NOP
Molecular Weight255.34 g/mol
Exact Mass255.18
IUPAC Name[(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane
SMILESCC/C=C\C(P)=C(/C)COCC1CCNCC1
InChIInChI=1S/C14H26NOP/c1-3-4-5-14(17)12(2)10-16-11-13-6-8-15-9-7-13/h4-5,13,15H,3,6-11,17H2,1-2H3/b5-4-,14-12-
InChIKeyUDFYJDUYPOCXEM-ZLUSXAHMSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine
CID 138516304
4-[[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]methyl]-4-fluoropiperidine
CID 138516487
ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277788
4-(Cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine
CID 166113715
4-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine
CID 142055939
4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277789

Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane?
The IUPAC name of [(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane (CID 143305049) is [(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane.
What is the SMILES notation for [(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane?
The canonical SMILES for [(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane is CC/C=C\C(P)=C(/C)COCC1CCNCC1.
What is the InChIKey of [(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane?
The InChIKey is UDFYJDUYPOCXEM-ZLUSXAHMSA-N. The full InChI is InChI=1S/C14H26NOP/c1-3-4-5-14(17)12(2)10-16-11-13-6-8-15-9-7-13/h4-5,13,15H,3,6-11,17H2,1-2H3/b5-4-,14-12-.
What are the key properties of [(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane?
[(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane has a molecular weight of 255.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane is sourced from PubChem (CID 143305049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).