4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol

C14H23NO — CID 3317216

IUPAC4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol
SMILESC=CCCC(C)(O)C#CCN1CCCCC1
InChIInChI=1S/C14H23NO/c1-3-4-9-14(2,16)10-8-13-15-11-6-5-7-12-15/h3,16H,1,4-7,9,11-13H2,2H3
InChIKeyWNZDGIKWEQJLNU-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.19
Rot. Bonds4

About 4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol

4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol (PubChem CID 3317216) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol.

Molecular Properties

Compound Name4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol
PubChem CID3317216
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol
SMILESC=CCCC(C)(O)C#CCN1CCCCC1
InChIInChI=1S/C14H23NO/c1-3-4-9-14(2,16)10-8-13-15-11-6-5-7-12-15/h3,16H,1,4-7,9,11-13H2,2H3
InChIKeyWNZDGIKWEQJLNU-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol?
The IUPAC name of 4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol (CID 3317216) is 4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol.
What is the SMILES notation for 4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol?
The canonical SMILES for 4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol is C=CCCC(C)(O)C#CCN1CCCCC1.
What is the InChIKey of 4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol?
The InChIKey is WNZDGIKWEQJLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-9-14(2,16)10-8-13-15-11-6-5-7-12-15/h3,16H,1,4-7,9,11-13H2,2H3.
What are the key properties of 4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol?
4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol has a molecular weight of 221.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-1-yloct-7-en-2-yn-4-ol is sourced from PubChem (CID 3317216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).