2-methyl-2-piperidin-1-yloct-6-yn-3-ol

C14H25NO — CID 104803983

IUPAC2-methyl-2-piperidin-1-yloct-6-yn-3-ol
SMILESCC#CCCC(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-4-5-7-10-13(16)14(2,3)15-11-8-6-9-12-15/h13,16H,6-12H2,1-3H3
InChIKeyANKOJXAOWNKKKV-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.42
Rot. Bonds4

About 2-methyl-2-piperidin-1-yloct-6-yn-3-ol

2-methyl-2-piperidin-1-yloct-6-yn-3-ol (PubChem CID 104803983) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yloct-6-yn-3-ol.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yloct-6-yn-3-ol
PubChem CID104803983
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-methyl-2-piperidin-1-yloct-6-yn-3-ol
SMILESCC#CCCC(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-4-5-7-10-13(16)14(2,3)15-11-8-6-9-12-15/h13,16H,6-12H2,1-3H3
InChIKeyANKOJXAOWNKKKV-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-piperidin-1-ylhept-5-yn-3-ol
CID 79045084
3-methyl-3-piperidin-1-ylnon-7-yn-4-ol
CID 104804003
(2-methyl-2-piperidin-1-yloct-6-yn-3-yl)hydrazine
CID 105239923
3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol
CID 104804000
2-(azepan-1-yl)-N-ethyl-2-methyloct-6-yn-3-amine
CID 104806402
2-methyl-2-piperidin-1-ylhexan-3-ol
CID 79045077
2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol
CID 114209872
2-methyl-2-piperidin-1-yloct-6-yn-3-one
CID 104803362
2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol
CID 79056027
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79044925
2-methyl-2-piperidin-1-yldec-9-en-3-ol
CID 107008615
2-methyl-6-methylsulfonyl-2-pyrrolidin-1-ylhexan-3-ol
CID 79056525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yloct-6-yn-3-ol?
The IUPAC name of 2-methyl-2-piperidin-1-yloct-6-yn-3-ol (CID 104803983) is 2-methyl-2-piperidin-1-yloct-6-yn-3-ol.
What is the SMILES notation for 2-methyl-2-piperidin-1-yloct-6-yn-3-ol?
The canonical SMILES for 2-methyl-2-piperidin-1-yloct-6-yn-3-ol is CC#CCCC(O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yloct-6-yn-3-ol?
The InChIKey is ANKOJXAOWNKKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-5-7-10-13(16)14(2,3)15-11-8-6-9-12-15/h13,16H,6-12H2,1-3H3.
What are the key properties of 2-methyl-2-piperidin-1-yloct-6-yn-3-ol?
2-methyl-2-piperidin-1-yloct-6-yn-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.42, 4 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-6-yn-3-ol is sourced from PubChem (CID 104803983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).