methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride

C15H28ClNO2 — CID 174756902

IUPACmethyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride
SMILESCCCCC(C=C(C)C(=O)OC)N1CCCCC1.Cl
InChIInChI=1S/C15H27NO2.ClH/c1-4-5-9-14(12-13(2)15(17)18-3)16-10-7-6-8-11-16;/h12,14H,4-11H2,1-3H3;1H
InChIKeyNHIWDRSOYNZLDH-UHFFFAOYSA-N
MW289.85 g/mol
LogP3.57
Rot. Bonds6

About methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride

methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride (PubChem CID 174756902) has the molecular formula C15H28ClNO2 and a molecular weight of 289.85 g/mol. Its IUPAC name is methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride
PubChem CID174756902
Molecular FormulaC15H28ClNO2
Molecular Weight289.85 g/mol
Exact Mass289.18
IUPAC Namemethyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride
SMILESCCCCC(C=C(C)C(=O)OC)N1CCCCC1.Cl
InChIInChI=1S/C15H27NO2.ClH/c1-4-5-9-14(12-13(2)15(17)18-3)16-10-7-6-8-11-16;/h12,14H,4-11H2,1-3H3;1H
InChIKeyNHIWDRSOYNZLDH-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride?
The IUPAC name of methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride (CID 174756902) is methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride?
The canonical SMILES for methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride is CCCCC(C=C(C)C(=O)OC)N1CCCCC1.Cl.
What is the InChIKey of methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride?
The InChIKey is NHIWDRSOYNZLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.ClH/c1-4-5-9-14(12-13(2)15(17)18-3)16-10-7-6-8-11-16;/h12,14H,4-11H2,1-3H3;1H.
What are the key properties of methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride?
methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-piperidin-1-yloct-2-enoate;hydrochloride is sourced from PubChem (CID 174756902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).