[(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol

C16H27NO — CID 175960868

IUPAC[(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol
SMILESCCCC/C=C/C=C/C=C/N1CCCC[C@@H]1CO
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-10-13-17-14-11-9-12-16(17)15-18/h5-8,10,13,16,18H,2-4,9,11-12,14-15H2,1H3/b6-5+,8-7+,13-10+/t16-/m1/s1
InChIKeyZVKHVPQCFDTKJW-IBSALRHUSA-N
MW249.40 g/mol
LogP3.65
Rot. Bonds7

About [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol

[(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol (PubChem CID 175960868) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol
PubChem CID175960868
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name[(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol
SMILESCCCC/C=C/C=C/C=C/N1CCCC[C@@H]1CO
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-10-13-17-14-11-9-12-16(17)15-18/h5-8,10,13,16,18H,2-4,9,11-12,14-15H2,1H3/b6-5+,8-7+,13-10+/t16-/m1/s1
InChIKeyZVKHVPQCFDTKJW-IBSALRHUSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-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 [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol (CID 175960868) is [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol is CCCC/C=C/C=C/C=C/N1CCCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol?
The InChIKey is ZVKHVPQCFDTKJW-IBSALRHUSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-10-13-17-14-11-9-12-16(17)15-18/h5-8,10,13,16,18H,2-4,9,11-12,14-15H2,1H3/b6-5+,8-7+,13-10+/t16-/m1/s1.
What are the key properties of [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol?
[(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol has a molecular weight of 249.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(1E,3E,5E)-deca-1,3,5-trienyl]piperidin-2-yl]methanol is sourced from PubChem (CID 175960868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).