3-methyl-3-piperidin-1-ylnon-7-yn-4-ol

C15H27NO — CID 104804003

IUPAC3-methyl-3-piperidin-1-ylnon-7-yn-4-ol
SMILESCC#CCCC(O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C15H27NO/c1-4-6-8-11-14(17)15(3,5-2)16-12-9-7-10-13-16/h14,17H,5,7-13H2,1-3H3
InChIKeyFNNMRDXMIKFUSF-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.81
Rot. Bonds5

About 3-methyl-3-piperidin-1-ylnon-7-yn-4-ol

3-methyl-3-piperidin-1-ylnon-7-yn-4-ol (PubChem CID 104804003) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-methyl-3-piperidin-1-ylnon-7-yn-4-ol.

Molecular Properties

Compound Name3-methyl-3-piperidin-1-ylnon-7-yn-4-ol
PubChem CID104804003
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-methyl-3-piperidin-1-ylnon-7-yn-4-ol
SMILESCC#CCCC(O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C15H27NO/c1-4-6-8-11-14(17)15(3,5-2)16-12-9-7-10-13-16/h14,17H,5,7-13H2,1-3H3
InChIKeyFNNMRDXMIKFUSF-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperidin-1-ylnon-7-yn-4-ol?
The IUPAC name of 3-methyl-3-piperidin-1-ylnon-7-yn-4-ol (CID 104804003) is 3-methyl-3-piperidin-1-ylnon-7-yn-4-ol.
What is the SMILES notation for 3-methyl-3-piperidin-1-ylnon-7-yn-4-ol?
The canonical SMILES for 3-methyl-3-piperidin-1-ylnon-7-yn-4-ol is CC#CCCC(O)C(C)(CC)N1CCCCC1.
What is the InChIKey of 3-methyl-3-piperidin-1-ylnon-7-yn-4-ol?
The InChIKey is FNNMRDXMIKFUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-6-8-11-14(17)15(3,5-2)16-12-9-7-10-13-16/h14,17H,5,7-13H2,1-3H3.
What are the key properties of 3-methyl-3-piperidin-1-ylnon-7-yn-4-ol?
3-methyl-3-piperidin-1-ylnon-7-yn-4-ol has a molecular weight of 237.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperidin-1-ylnon-7-yn-4-ol is sourced from PubChem (CID 104804003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).