[5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol

C15H24NOP — CID 143997258

IUPAC[5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol
SMILESCC1(C)C=CC(CO)=C(C2CCN(P)CC2)C=C1
InChIInChI=1S/C15H24NOP/c1-15(2)7-3-13(11-17)14(4-8-15)12-5-9-16(18)10-6-12/h3-4,7-8,12,17H,5-6,9-11,18H2,1-2H3
InChIKeyLWWSERFGWGQFIQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.93
Rot. Bonds2

About [5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol

[5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol (PubChem CID 143997258) has the molecular formula C15H24NOP and a molecular weight of 265.34 g/mol. Its IUPAC name is [5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol.

Molecular Properties

Compound Name[5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol
PubChem CID143997258
Molecular FormulaC15H24NOP
Molecular Weight265.34 g/mol
Exact Mass265.16
IUPAC Name[5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol
SMILESCC1(C)C=CC(CO)=C(C2CCN(P)CC2)C=C1
InChIInChI=1S/C15H24NOP/c1-15(2)7-3-13(11-17)14(4-8-15)12-5-9-16(18)10-6-12/h3-4,7-8,12,17H,5-6,9-11,18H2,1-2H3
InChIKeyLWWSERFGWGQFIQ-UHFFFAOYSA-N
XLogP2.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol?
The IUPAC name of [5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol (CID 143997258) is [5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol.
What is the SMILES notation for [5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol?
The canonical SMILES for [5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol is CC1(C)C=CC(CO)=C(C2CCN(P)CC2)C=C1.
What is the InChIKey of [5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol?
The InChIKey is LWWSERFGWGQFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NOP/c1-15(2)7-3-13(11-17)14(4-8-15)12-5-9-16(18)10-6-12/h3-4,7-8,12,17H,5-6,9-11,18H2,1-2H3.
What are the key properties of [5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol?
[5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol has a molecular weight of 265.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol is sourced from PubChem (CID 143997258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).