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

C14H22NOP — CID 143997256

IUPAC[5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol
SMILESCC1C=CC(CO)=C(C2CCN(P)CC2)C=C1
InChIInChI=1S/C14H22NOP/c1-11-2-4-13(10-16)14(5-3-11)12-6-8-15(17)9-7-12/h2-5,11-12,16H,6-10,17H2,1H3
InChIKeyTUMZFTGDWRQXOW-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.54
Rot. Bonds2

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

[5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol (PubChem CID 143997256) has the molecular formula C14H22NOP and a molecular weight of 251.31 g/mol. Its IUPAC name is [5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol
PubChem CID143997256
Molecular FormulaC14H22NOP
Molecular Weight251.31 g/mol
Exact Mass251.14
IUPAC Name[5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol
SMILESCC1C=CC(CO)=C(C2CCN(P)CC2)C=C1
InChIInChI=1S/C14H22NOP/c1-11-2-4-13(10-16)14(5-3-11)12-6-8-15(17)9-7-12/h2-5,11-12,16H,6-10,17H2,1H3
InChIKeyTUMZFTGDWRQXOW-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol?
The IUPAC name of [5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol (CID 143997256) is [5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol.
What is the SMILES notation for [5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol?
The canonical SMILES for [5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol is CC1C=CC(CO)=C(C2CCN(P)CC2)C=C1.
What is the InChIKey of [5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol?
The InChIKey is TUMZFTGDWRQXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NOP/c1-11-2-4-13(10-16)14(5-3-11)12-6-8-15(17)9-7-12/h2-5,11-12,16H,6-10,17H2,1H3.
What are the key properties of [5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol?
[5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol has a molecular weight of 251.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol is sourced from PubChem (CID 143997256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).