2-methyl-2-piperidin-1-yloct-7-en-3-ol

C14H27NO — CID 79045315

IUPAC2-methyl-2-piperidin-1-yloct-7-en-3-ol
SMILESC=CCCCC(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H27NO/c1-4-5-7-10-13(16)14(2,3)15-11-8-6-9-12-15/h4,13,16H,1,5-12H2,2-3H3
InChIKeyVTELRVKNIMZLPH-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds6

About 2-methyl-2-piperidin-1-yloct-7-en-3-ol

2-methyl-2-piperidin-1-yloct-7-en-3-ol (PubChem CID 79045315) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yloct-7-en-3-ol.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yloct-7-en-3-ol
PubChem CID79045315
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-methyl-2-piperidin-1-yloct-7-en-3-ol
SMILESC=CCCCC(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H27NO/c1-4-5-7-10-13(16)14(2,3)15-11-8-6-9-12-15/h4,13,16H,1,5-12H2,2-3H3
InChIKeyVTELRVKNIMZLPH-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yloct-7-en-3-ol?
The IUPAC name of 2-methyl-2-piperidin-1-yloct-7-en-3-ol (CID 79045315) is 2-methyl-2-piperidin-1-yloct-7-en-3-ol.
What is the SMILES notation for 2-methyl-2-piperidin-1-yloct-7-en-3-ol?
The canonical SMILES for 2-methyl-2-piperidin-1-yloct-7-en-3-ol is C=CCCCC(O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yloct-7-en-3-ol?
The InChIKey is VTELRVKNIMZLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-7-10-13(16)14(2,3)15-11-8-6-9-12-15/h4,13,16H,1,5-12H2,2-3H3.
What are the key properties of 2-methyl-2-piperidin-1-yloct-7-en-3-ol?
2-methyl-2-piperidin-1-yloct-7-en-3-ol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yloct-7-en-3-ol is sourced from PubChem (CID 79045315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).