(3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate

C14H23NO2 — CID 2840186

IUPAC(3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate
SMILESCCC(C)(C#CCN1CCCCC1)OC(C)=O
InChIInChI=1S/C14H23NO2/c1-4-14(3,17-13(2)16)9-8-12-15-10-6-5-7-11-15/h4-7,10-12H2,1-3H3
InChIKeyGWVKVVKUKYVACS-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.21
Rot. Bonds3

About (3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate

(3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate (PubChem CID 2840186) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate.

Molecular Properties

Compound Name(3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate
PubChem CID2840186
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate
SMILESCCC(C)(C#CCN1CCCCC1)OC(C)=O
InChIInChI=1S/C14H23NO2/c1-4-14(3,17-13(2)16)9-8-12-15-10-6-5-7-11-15/h4-7,10-12H2,1-3H3
InChIKeyGWVKVVKUKYVACS-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-6-piperidin-1-ylhex-4-yn-3-yl) acetate?
The IUPAC name of (3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate (CID 2840186) is (3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate.
What is the SMILES notation for (3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate?
The canonical SMILES for (3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate is CCC(C)(C#CCN1CCCCC1)OC(C)=O.
What is the InChIKey of (3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate?
The InChIKey is GWVKVVKUKYVACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-14(3,17-13(2)16)9-8-12-15-10-6-5-7-11-15/h4-7,10-12H2,1-3H3.
What are the key properties of (3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate?
(3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate has a molecular weight of 237.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate is sourced from PubChem (CID 2840186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).